Geometry & MOs

Info

ID:

1892

PubChem CID:

5287

Reduced:

O2C15H20 (2)

Stoich.:

A2B15C20 (2)

Weight, g/mol:

464.29266

ΔHf, kcal/mol:

-160.24

Dipole, Da:

6.1

IP(EA), eV:

 -8.92(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(3a,6,6,9a-tetramethyl-2,7-dioxo-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-ylidene)-2,6-dimethylundeca-2,4,6,8-tetraenoic acid

Drug info:

PubChemData

Smile

CC(=CC=CC(=C1C(=O)CC2C1(CCC3C2(CCC(=O)C3(C)C)C)C)C)C=CC=C(C)C(=O)O

DOS

IR

Vibrations