Geometry & MOs

Info

ID:

1009

PubChem CID:

3662

Reduced:

O4C35H52 (1)

Stoich.:

A4B35C52 (1)

Weight, g/mol:

536.38656

ΔHf, kcal/mol:

-190.42

Dipole, Da:

4.7

IP(EA), eV:

 -8.8(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

Drug info:

PubChemData

Smile

CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C

DOS

IR

Vibrations