Geometry & MOs

Info

ID:	41092
PubChem CID:	8145231
Reduced:	O3N4C22H33 (1)
Stoich.:	A3B4C22D33 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	-89.81
Dipole, Da:	0.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784060
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C4(CCCCCC4)NC3=O

DOS

IR

Vibrations