Geometry & MOs

Info

ID:	152810
PubChem CID:	56311884
Reduced:	ClON2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	358.18567
ΔH_f, kcal/mol:	-20.65
Dipole, Da:	1.74
IP(EA), eV:	-8.92(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations