Geometry & MOs

Info

ID:

1893

PubChem CID:

5288

Reduced:

O4C31H42 (1)

Stoich.:

A4B31C42 (1)

Weight, g/mol:

478.30831

ΔHf, kcal/mol:

-161.37

Dipole, Da:

4.75

IP(EA), eV:

 -8.69(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 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-tetraenoate

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)OC

DOS

IR

Vibrations