Geometry & MOs

Info

ID:	352491
PubChem CID:	127283579
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-14.07
Dipole, Da:	6.47
IP(EA), eV:	-9.64(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations