Geometry & MOs

Info

ID:	4478
PubChem CID:	11470
Reduced:	O3H8C9 (1)
Stoich.:	A3B8C9 (1)
Weight, g/mol:	164.047344
ΔH_f, kcal/mol:	-98.84
Dipole, Da:	3.66
IP(EA), eV:	-10.63(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetylbenzoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations