Geometry & MOs

Info

ID:	348289
PubChem CID:	127273354
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	4.77
IP(EA), eV:	-8.86(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-5-methylphenyl)-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=CC=C(S3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations