Geometry & MOs

Info

ID:	145902
PubChem CID:	53609653
Reduced:	FON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-29.45
Dipole, Da:	4.7
IP(EA), eV:	-8.67(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol

Drug info:

PubChemData

Smile

CN(C)CC1CN(CCO1)CC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations