Geometry & MOs

Info

ID:	10999
PubChem CID:	109781
Reduced:	ClO3N6C20H21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	428.136366
ΔH_f, kcal/mol:	43.6
Dipole, Da:	9.92
IP(EA), eV:	-8.73(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-[(2-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NC(=O)CCCl

DOS

IR

Vibrations