Geometry & MOs

Info

ID:	356647
PubChem CID:	127292066
Reduced:	ON3C8H13 (2)
Stoich.:	AB3C8D13 (2)
Weight, g/mol:	333.18009
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	5.84
IP(EA), eV:	-9.0(0.1)
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-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)CCNC(=O)C2CCN(CC2)C(=O)N3CCCC3

DOS

IR

Vibrations