Geometry & MOs

Info

ID:	341924
PubChem CID:	127264617
Reduced:	ClNO2F3C9H9 (1)
Stoich.:	ABC2D3E9F9 (1)
Weight, g/mol:	265.084512
ΔH_f, kcal/mol:	-259.13
Dipole, Da:	4.66
IP(EA), eV:	-10.38(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-(trifluoromethyl)phenyl]piperidine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)[C@@H](C(F)(F)F)N.Cl

DOS

IR

Vibrations