Geometry & MOs

Info

ID:

307252

PubChem CID:

125299286

Reduced:

O2C6H9 (4)

Stoich.:

A2B6C9 (4)

Weight, g/mol:

397.205322

ΔHf, kcal/mol:

-386.81

Dipole, Da:

7.11

IP(EA), eV:

 -9.68(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclooctyl (2R,6S)-6-(4-fluorophenyl)-3-methyl-4-oxo-2,5,6,7-tetrahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H]3[C@@H]4CC[C@H](C[C@@H]4CC[C@@H]3[C@H]1CCC2=O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O

DOS

IR

Vibrations