Geometry & MOs

Info

ID:	165103
PubChem CID:	74501074
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	419.233468
ΔH_f, kcal/mol:	-35.06
Dipole, Da:	1.23
IP(EA), eV:	-8.47(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[6-(3-phenylprop-2-enyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-6-ium-1-yl]methanone

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CN2CC3CC2C(=O)N3C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations