Geometry & MOs

Info

ID:	41091
PubChem CID:	8145230
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	401.255266
ΔH_f, kcal/mol:	-79.39
Dipole, Da:	2.63
IP(EA), eV:	-8.68(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)[C@H](N(C3=O)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations