Geometry & MOs

Info

ID:	41486
PubChem CID:	8145956
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	14.63
Dipole, Da:	3.12
IP(EA), eV:	-9.29(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)CN2C3=CC=CC=C3N=N2)C

DOS

IR

Vibrations