Geometry & MOs

Info

ID:	367162
PubChem CID:	127323578
Reduced:	ClON4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	371.175753
ΔH_f, kcal/mol:	13.95
Dipole, Da:	2.64
IP(EA), eV:	-9.58(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3CC3C4=CC(=CC=C4)Cl

DOS

IR

Vibrations