Geometry & MOs

Info

ID:	128956
PubChem CID:	51064209
Reduced:	ClN4O6C21H23 (1)
Stoich.:	AB4C6D21E23 (1)
Weight, g/mol:	340.093833
ΔH_f, kcal/mol:	-105.05
Dipole, Da:	8.79
IP(EA), eV:	-8.56(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-nitro-N-[(E)-[4-oxo-4-(propylamino)butan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)/CC(=O)NCCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations