Geometry & MOs

Info

ID:	152920
PubChem CID:	56312011
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	356.165541
ΔH_f, kcal/mol:	-98.05
Dipole, Da:	11.26
IP(EA), eV:	-9.09(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations