Geometry & MOs

Info

ID:	8911
PubChem CID:	83445
Reduced:	N2O4H8C9 (1)
Stoich.:	A2B4C8D9 (1)
Weight, g/mol:	208.048407
ΔH_f, kcal/mol:	-149.17
Dipole, Da:	5.03
IP(EA), eV:	-10.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamoylcarbamoyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC(=O)N)C(=O)O

DOS

IR

Vibrations