Geometry & MOs

Info

ID:	65975
PubChem CID:	46484793
Reduced:	OF3N3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	363.155847
ΔH_f, kcal/mol:	-135.42
Dipole, Da:	4.54
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylphenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC(=C2)C(F)(F)F)C)CC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations