Geometry & MOs

Info

ID:	282142
PubChem CID:	103916937
Reduced:	ClO3N4H7C13 (1)
Stoich.:	AB3C4D7E13 (1)
Weight, g/mol:	434.84439
ΔH_f, kcal/mol:	44.01
Dipole, Da:	4.0
IP(EA), eV:	-9.72(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2,5-dibromophenyl)-5-nitropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)NC(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations