Geometry & MOs

Info

ID:	152809
PubChem CID:	56311883
Reduced:	FN3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	356.165541
ΔH_f, kcal/mol:	-146.71
Dipole, Da:	6.15
IP(EA), eV:	-8.71(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NCCC3=CC=C(C=C3)F

DOS

IR

Vibrations