Geometry & MOs

Info

ID:	40410
PubChem CID:	8144073
Reduced:	O2N4C24H37 (1)
Stoich.:	A2B4C24D37 (1)
Weight, g/mol:	412.283826
ΔH_f, kcal/mol:	-69.03
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758401
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations