Geometry & MOs

Info

ID:	163427
PubChem CID:	57939545
Reduced:	N3O4F6C27H31 (1)
Stoich.:	A3B4C6D27E31 (1)
Weight, g/mol:	476.169861
ΔH_f, kcal/mol:	-473.64
Dipole, Da:	1.38
IP(EA), eV:	-9.34(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2C[C@@H](CCN2C(=O)N(C)[C@@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC(=O)NCCO

DOS

IR

Vibrations