Geometry & MOs

Info

ID:	147306
PubChem CID:	53786961
Reduced:	ClIOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	455.18429
ΔH_f, kcal/mol:	-35.43
Dipole, Da:	2.96
IP(EA), eV:	-9.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridin-2-ylsulfanylpropan-2-ol

Drug info:

PubChemData

Smile

CC(CCCl)(C1=CC=C(C=C1)I)O

DOS

IR

Vibrations