Geometry & MOs

Info

ID:	41464
PubChem CID:	8145926
Reduced:	N2O2C11H15 (2)
Stoich.:	A2B2C11D15 (2)
Weight, g/mol:	416.242356
ΔH_f, kcal/mol:	-136.37
Dipole, Da:	3.62
IP(EA), eV:	-8.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations