Geometry & MOs

Info

ID:

5411

PubChem CID:

13119

Reduced:

SN4O8C40H50 (1)

Stoich.:

AB4C8D40E50 (1)

Weight, g/mol:

746.334936

ΔHf, kcal/mol:

-225.59

Dipole, Da:

2.28

IP(EA), eV:

 -8.67(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O

DOS

IR

Vibrations