Geometry & MOs

Info

ID:	130829
PubChem CID:	51115347
Reduced:	ClN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	377.135111
ΔH_f, kcal/mol:	-96.69
Dipole, Da:	2.78
IP(EA), eV:	-8.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)NC(=O)N(C)CC2=CC(=CC=C2)Cl)OC

DOS

IR

Vibrations