Geometry & MOs

Info

ID:	152261
PubChem CID:	56311156
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	-65.72
Dipole, Da:	5.89
IP(EA), eV:	-9.11(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations