Geometry & MOs

Info

ID:	66254
PubChem CID:	46501178
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	431.099646
ΔH_f, kcal/mol:	-11.63
Dipole, Da:	8.27
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-(2-nitroanilino)-4-oxobutan-2-ylidene]amino]oxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N/N=C(\C)/CC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations