Geometry & MOs

Info

ID:	152019
PubChem CID:	56310864
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	390.157741
ΔH_f, kcal/mol:	-107.96
Dipole, Da:	4.1
IP(EA), eV:	-9.22(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C(=O)C)C)C(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations