Geometry & MOs

Info

ID:	282877
PubChem CID:	103943145
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	303.111599
ΔH_f, kcal/mol:	-88.65
Dipole, Da:	3.18
IP(EA), eV:	-9.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)(C)OCC(=O)NC(C)(C)C1=NC=CS1

DOS

IR

Vibrations