Geometry & MOs

Info

ID:

4659

PubChem CID:

11821

Reduced:

INO3C17H23 (2)

Stoich.:

ABC3D17E23 (2)

Weight, g/mol:

832.14453

ΔHf, kcal/mol:

-152.89

Dipole, Da:

25.94

IP(EA), eV:

 -6.9(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[4-[(6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methoxy]phenoxy]methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium;diiodide

Drug info:

PubChemData

Smile

C[N+]1(CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)OCC4C5=CC(=C(C=C5CC[N+]4(C)C)OC)OC)OC)OC)C.[I-].[I-]

DOS

IR

Vibrations