Geometry & MOs

Info

ID:	9999
PubChem CID:	96073
Reduced:	ClN2O3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	276.03017
ΔH_f, kcal/mol:	-0.66
Dipole, Da:	3.31
IP(EA), eV:	-9.19(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-nitro-N-phenylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations