Geometry & MOs

Info

ID:	152020
PubChem CID:	56310865
Reduced:	OSF2N2C21H24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	356.165541
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	2.77
IP(EA), eV:	-8.95(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC(F)F

DOS

IR

Vibrations