Acetic acid (CH3COOH)

Carboxylic acid; resonance within –COOH fragment splits π and lone-pair roles across O atoms. Teaching note: figures illustrate qualitative electronic structure; quantitative benchmarking should use larger bases, dispersion, and experimental structures.

Geometry
Planar acid group
Polarity
Polar
Bond angle
~120° (C=O neighborhood)
Hybridisation
sp2 (C carbonyl), sp3 (methyl qualitative)
VSEPR
Trigonal C=O
Bonds
σ + π carbonyl, OH σ, methyl framework
Molecular orbitals
24 valence MOs (heavy for sto-3g); still useful for qualitative frontier trends.
SMILES
CC(=O)O

Electron density: spin-paired GPAW (PBE) on an isolated gas-phase geometry; molecular orbitals: restricted mean-field RHF with sto-3g in PySCF unless noted.

Open the interactive 3D viewer · Edit in the Molecule Builder · Plans

More molecules