Geometry & MOs

Info

ID:	145027
PubChem CID:	53450431
Reduced:	SN3C17H28 (1)
Stoich.:	AB3C17D28 (1)
Weight, g/mol:	368.113412
ΔH_f, kcal/mol:	35.08
Dipole, Da:	5.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752780
Charge, e:	1

Chem-info

IUPAC name:

6-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one

Drug info:

PubChemData

Smile

CNC(=S)N1CCCC2=CC3CC(C21)C[NH+]4C3CCCC4

DOS

IR

Vibrations