Geometry & MOs

Info

ID:	314200
PubChem CID:	126620895
Reduced:	OSN2C24H28 (1)
Stoich.:	ABC2D24E28 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	13.79
Dipole, Da:	0.54
IP(EA), eV:	-8.03(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazin-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=CC=CC=C2N(CCNCCO)C3=CC=CC=C3)C

DOS

IR

Vibrations