Geometry & MOs

Info

ID:	276699
PubChem CID:	103824736
Reduced:	BrClNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	388.89696
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	5.77
IP(EA), eV:	-9.13(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOCC(=O)NC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations