Geometry & MOs

Info

ID:	40409
PubChem CID:	8144069
Reduced:	ON4C25H26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	413.291651
ΔH_f, kcal/mol:	73.59
Dipole, Da:	3.52
IP(EA), eV:	-8.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-(2-methylbutan-2-yl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations