Geometry & MOs

Info

ID:	234424
PubChem CID:	92298408
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	321.101034
ΔH_f, kcal/mol:	-113.78
Dipole, Da:	3.72
IP(EA), eV:	-8.65(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R)-3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)COC2=CC=CC=C2OC)C

DOS

IR

Vibrations