Geometry & MOs

Info

ID:	41481
PubChem CID:	8145947
Reduced:	N2O2C11H16 (2)
Stoich.:	A2B2C11D16 (2)
Weight, g/mol:	414.226705
ΔH_f, kcal/mol:	-132.2
Dipole, Da:	5.5
IP(EA), eV:	-8.57(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-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+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations