Geometry & MOs

Info

ID:	4811
PubChem CID:	12077
Reduced:	O3H6C8 (1)
Stoich.:	A3B6C8 (1)
Weight, g/mol:	150.031694
ΔH_f, kcal/mol:	-84.47
Dipole, Da:	5.67
IP(EA), eV:	-10.72(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-formylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations