Geometry & MOs

Info

ID:	41077
PubChem CID:	8145216
Reduced:	N7H11C13 (1)
Stoich.:	A7B11C13 (1)
Weight, g/mol:	387.239616
ΔH_f, kcal/mol:	183.99
Dipole, Da:	6.57
IP(EA), eV:	-9.83(-1.1)
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[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)N/N=C\C3=CC=NC=C3

DOS

IR

Vibrations