Geometry & MOs

Info

ID:	139233
PubChem CID:	52495839
Reduced:	ON2F3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	366.191898
ΔH_f, kcal/mol:	-176.07
Dipole, Da:	5.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.014469
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CC=C1)C(=O)NC2CC[NH+](CC2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations