Geometry & MOs

Info

ID:	158300
PubChem CID:	56463322
Reduced:	ON3C14H17 (2)
Stoich.:	AB3C14D17 (2)
Weight, g/mol:	402.145868
ΔH_f, kcal/mol:	5.01
Dipole, Da:	2.72
IP(EA), eV:	-8.16(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

DOS

IR

Vibrations