Geometry & MOs

Info

ID:

1891

PubChem CID:

5284

Reduced:

O2C15H19 (2)

Stoich.:

A2B15C19 (2)

Weight, g/mol:

462.27701

ΔHf, kcal/mol:

-156.93

Dipole, Da:

5.14

IP(EA), eV:

 -9.16(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3a,6,6,9a-tetramethyl-3-[6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione

Drug info:

PubChemData

Smile

CC1=CC=C(OC1=O)C(=CC=CC(=C2C(=O)CC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)C

DOS

IR

Vibrations