Geometry & MOs

Info

ID:	418982
PubChem CID:	135107258
Reduced:	NOC16H29 (1)
Stoich.:	ABC16D29 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	-81.27
Dipole, Da:	2.62
IP(EA), eV:	-8.47(1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-benzyl-3-(hydroxymethyl)-1-(2-methylsulfonylethyl)piperidin-4-ol

Drug info:

PubChemData

Smile

CC/C(=C/CCN1CCC[C@@]2(C1)CCC[C@H]2O)/C

DOS

IR

Vibrations