Geometry & MOs

Info

ID:	8206
PubChem CID:	75325
Reduced:	BrO3N6C20H21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	472.08585
ΔH_f, kcal/mol:	47.43
Dipole, Da:	8.79
IP(EA), eV:	-8.55(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)N(CC)CC)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])C#N

DOS

IR

Vibrations