Geometry & MOs

Info

ID:	383394
PubChem CID:	134975091
Reduced:	SN3C5H11 (1)
Stoich.:	AB3C5D11 (1)
Weight, g/mol:	401.157819
ΔH_f, kcal/mol:	47.11
Dipole, Da:	3.65
IP(EA), eV:	-8.72(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-phenylpiperidine

Drug info:

PubChemData

Smile

CN(C)/N=C/C(=N)SC

DOS

IR

Vibrations