Geometry & MOs

Info

ID:	135905
PubChem CID:	51955937
Reduced:	N2O3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	426.107038
ΔH_f, kcal/mol:	-72.88
Dipole, Da:	5.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.059779
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3-carbamoyl-4-chlorophenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC1=CC=CC=[N+]1C(=O)C2=CC(=CC=C2)C(=O)OC

DOS

IR

Vibrations