Geometry & MOs

Info

ID:	165643
PubChem CID:	74579865
Reduced:	N3O3C25H30 (1)
Stoich.:	A3B3C25D30 (1)
Weight, g/mol:	406.213067
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	0.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.207783
Charge, e:	1

Chem-info

IUPAC name:

1'-[[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

Drug info:

PubChemData

Smile

C1COC2(C3=CC=CC=C3N(C2=O)CN4CC[NH+](CC4)CC=CC5=CC=CC=C5)OC1

DOS

IR

Vibrations