Geometry & MOs

Info

ID:	139771
PubChem CID:	52592604
Reduced:	OF3N3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	336.220164
ΔH_f, kcal/mol:	-147.07
Dipole, Da:	6.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.987765
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-6-propan-2-ylphenyl)-4-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CC2=CC=CC(=C2)CNC(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations