Geometry & MOs

Info

ID:	40430
PubChem CID:	8144107
Reduced:	O2N4C20H29 (1)
Stoich.:	A2B4C20D29 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	2.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756793
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-6-methyl-3-[(4-phenylpiperazin-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