Geometry & MOs

Info

ID:	151919
PubChem CID:	56310745
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	-66.69
Dipole, Da:	1.39
IP(EA), eV:	-8.58(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-cyanophenyl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations