Geometry & MOs

Info

ID:

917

PubChem CID:

3529

Reduced:

O6C43H58 (1)

Stoich.:

A6B43C58 (1)

Weight, g/mol:

670.42334

ΔHf, kcal/mol:

-244.2

Dipole, Da:

1.59

IP(EA), eV:

 -9.1(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6-methyl-5,7-bis(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-5-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(CCC(=C)C)C(=C)C)CC=C(C)C)C)C

DOS

IR

Vibrations