Geometry & MOs

Info

ID:

392553

PubChem CID:

135017138

Reduced:

ISi3O8C56H103 (1)

Stoich.:

AB3C8D56E103 (1)

Weight, g/mol:

294.219495

ΔHf, kcal/mol:

-203.42

Dipole, Da:

10.08

IP(EA), eV:

 -7.92(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3aR,9aS,9bR)-2-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1C/C=C/C=C\C[C@H](CCC[C@H](C[C@H](OC(=O)C[C@H]([C@H]([C@H]2[C@H]([C@@H]1OC(O2)(C)C)C)C)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](/C=C(\C)/C=C/C=C/I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC

DOS

IR

Vibrations