Geometry & MOs

Info

ID:

46846

PubChem CID:

10527801

Reduced:

O5C28H40 (1)

Stoich.:

A5B28C40 (1)

Weight, g/mol:

456.28082

ΔHf, kcal/mol:

-110.5

Dipole, Da:

6.28

IP(EA), eV:

 -9.72(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3R,4S,6R)-6-[(S)-[tert-butyl(dimethyl)silyl]oxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@]2(O3)[C@H]5[C@H](O5)C6=CC(=O)CC[C@]46C)C)OO

DOS

IR

Vibrations