Geometry & MOs

Info

ID:	8031
PubChem CID:	74776
Reduced:	NO6H7C9 (1)
Stoich.:	AB6C7D9 (1)
Weight, g/mol:	225.027337
ΔH_f, kcal/mol:	-142.82
Dipole, Da:	5.14
IP(EA), eV:	-11.53(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxycarbonyl-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations