Geometry & MOs

Info

ID:

50128

PubChem CID:

12012635

Reduced:

BN2O3F5H30C31 (1)

Stoich.:

AB2C3D5E30F31 (1)

Weight, g/mol:

497.224046

ΔHf, kcal/mol:

-367.72

Dipole, Da:

19.78

IP(EA), eV:

 -9.32(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(R)-[(2S)-5-ethenyl-1-fluoro-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CC[N+]3(CC4C=C)F)OC(=O)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations