Geometry & MOs

Info

ID:	348272
PubChem CID:	127273337
Reduced:	OSN6C14H16 (1)
Stoich.:	ABC6D14E16 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	46.88
Dipole, Da:	5.92
IP(EA), eV:	-9.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations