Geometry & MOs

Info

ID:	40427
PubChem CID:	8144102
Reduced:	O2N4C20H29 (1)
Stoich.:	A2B4C20D29 (1)
Weight, g/mol:	357.229051
ΔH_f, kcal/mol:	-51.76
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756724
Charge, e:	1

Chem-info

IUPAC name:

(5S,6S)-6-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations