Geometry & MOs

Info

ID:	8505
PubChem CID:	78632
Reduced:	NO5H7C8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	197.032422
ΔH_f, kcal/mol:	-99.25
Dipole, Da:	6.69
IP(EA), eV:	-9.97(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-nitrobenzoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations