![]() The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of carbon dioxide is: ![]() It can provide a standard way to encode the molecular information of carbon dioxide to facilitate the search for the compound information in databases and on the web. The full standard InChI of carbon dioxide is: InChI (IUPAC International Chemical Identifier) information of carbon dioxideĪn alternative way of expressing structural information in text format is InChI.The chemical formula of carbon dioxide is given in chemical formula page of carbon dioxide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element. The molecular weight of carbon dioxide is available in molecular weight page of carbon dioxide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element. QSPR ModelingĪdditional Information for Identifying Carbon dioxide Moleculeīy visualizing the structure data file (SDF/MOL File) above, the chemical structure image of carbon dioxide is available in chemical structure page of carbon dioxide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.Quantum Tools for IR Spectra Interpretationįaster Quantum Calculations with Pre-Computed ResultsĬhemical Big Data for Artificial Intelligence (AI) Developments # of high e- density regions around the central atom 6 atoms and 0 lone pairs Octahedral FSF 90.0o & 180.Thermophysical Property Datafile (IK-Cape File) for Process Simulators, e.g., Aspen Plusįree Radicals Thermodynamic Data for Oxidation, Combustion, and Thermal Cracking Kinetics ![]() # of high e- density regions around the central atom 4 atoms and 1 lone pairs Seesaw FSF 101.6o & 177o due to lp repulsion the Electronic Geometry is Trigonal Bipyramidal and the Molecular Geometry (Shape) is Seesaw F F S F F sp3dĩ ClF3 VSEPR # of high e- density regions around the central atomģ atoms and 2 lone pairs T-Shaped the Electronic Geometry is Trigonal Bipyramidal and the Molecular Geometry (Shape) is T-Shaped sp3dġ0 XeF2 VSEPR # of high e- density regions around the central atomĢ atoms and 3 lone pairs Linear the Electronic Geometry is Trigonal Bipyramidal and the Molecular Geometry (Shape) is Linear sp3d # of high e- density regions around the central atom 5 atoms and 0 lone pairs Trigonal Bipyramidal FPF 90.0o & 120.0o & 180.0o the Electronic & Molecular Geometry (Shape) is Trigonal Bipyramidal P F sp3d # of high e- density regions around the central atom 2 atoms and 2 lone pairs Bent HOH o Due to e- repulsion of lp the Electronic Geometry is Tetrahedral and its molecular geometry (Shape) is bent. # of high e- density regions around the central atom 3 atoms and 1 lone pairs pyramidal HNH o Due to e- repulsion of lp the Electronic Geometry is Tetrahedral and its molecular geometry is pyramidal. # of high e- density regions around the central atom 4 atoms and 0 lone pairs Electronic & Molecular Geometry (Shape) is Tetrahedral HCH o C H sp3 # of high e- density regions around the central atom 3 atoms and 0 lone pairs the Electronic & Molecular Geometry (Shape) is Trigonal Planar FBF 120o VB sp2ģ NO2- VSEPR # of high e- density regions around the central atomĢ atoms and 1 lone pairs Electronic Geometry Trigonal Planar The Molecular Geometry (Shape) is Bent. Only tells us the bonding and not the Geometry VSEPR # of high e- density regions around the central atom 2 atoms and 0 lone pairs Linear O=C=O OCO 180o Therefore, the Molecular Geometry (Shape) is linear VB sp hybridized
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