Geometry & MOs

Info

ID:

916

PubChem CID:

3527

Reduced:

O3C19H25 (2)

Stoich.:

A3B19C25 (2)

Weight, g/mol:

602.360739

ΔHf, kcal/mol:

-245.49

Dipole, Da:

2.97

IP(EA), eV:

 -9.13(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione

Drug info:

PubChemData

Smile

CC(=CCCC1(C(CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C1(C2=O)CC=C(C)C)CC=C(C)C)CC=C(C)C)C)C

DOS

IR

Vibrations