Geometry & MOs

Info

ID:	276856
PubChem CID:	103825471
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	388.89696
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	8.5
IP(EA), eV:	-9.34(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-2-chloro-5-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)C(=O)NCC(C)(C)C(=O)NC

DOS

IR

Vibrations