Geometry & MOs

Info

ID:	194968
PubChem CID:	78614439
Reduced:	O3N4C22H33 (1)
Stoich.:	A3B4C22D33 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	-95.09
Dipole, Da:	2.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756992
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C4(CCCCC4C)NC3=O

DOS

IR

Vibrations