Geometry & MOs

Info

ID:	2771
PubChem CID:	8497
Reduced:	NO4H5C7 (1)
Stoich.:	AB4C5D7 (1)
Weight, g/mol:	167.021858
ΔH_f, kcal/mol:	-61.12
Dipole, Da:	3.77
IP(EA), eV:	-11.33(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitrobenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations