Geometry & MOs

Info

ID:	8029
PubChem CID:	74773
Reduced:	N2O5H8C9 (1)
Stoich.:	A2B5C8D9 (1)
Weight, g/mol:	224.043321
ΔH_f, kcal/mol:	-101.87
Dipole, Da:	5.08
IP(EA), eV:	-10.58(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylcarbamoyl)-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations