Geometry & MOs

Info

ID:	6939
PubChem CID:	70570
Reduced:	ClN3O3H8C12 (1)
Stoich.:	AB3C3D8E12 (1)
Weight, g/mol:	277.025419
ΔH_f, kcal/mol:	13.7
Dipole, Da:	5.35
IP(EA), eV:	-9.39(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloropyridin-3-yl)-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=C(N=CC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations