Geometry & MOs

Info

ID:	367149
PubChem CID:	127323542
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	34.83
Dipole, Da:	2.76
IP(EA), eV:	-9.29(-0.47)
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-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C(C)N3C=NC4=CC=CC=C43

DOS

IR

Vibrations