Geometry & MOs

Info

ID:	41482
PubChem CID:	8145950
Reduced:	N2O2C11H15 (2)
Stoich.:	A2B2C11D15 (2)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-141.43
Dipole, Da:	3.39
IP(EA), eV:	-8.56(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(3aR,7aR)-2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations