Geometry & MOs

Info

ID:	348324
PubChem CID:	127273389
Reduced:	ClON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	1.47
IP(EA), eV:	-9.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3(CCCCC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations