Geometry & MOs

Info

ID:	141367
PubChem CID:	52868396
Reduced:	FSN2O3C16H23 (1)
Stoich.:	ABC2D3E16F23 (1)
Weight, g/mol:	271.118399
ΔH_f, kcal/mol:	-166.87
Dipole, Da:	4.45
IP(EA), eV:	-9.46(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)CC2=CC=CC=C2F

DOS

IR

Vibrations