Geometry & MOs

Info

ID:

221981

PubChem CID:

85293151

Reduced:

O6C25H36 (1)

Stoich.:

A6B25C36 (1)

Weight, g/mol:

432.32396

ΔHf, kcal/mol:

-198.16

Dipole, Da:

3.37

IP(EA), eV:

 -8.89(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[7-hydroxy-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CC(=O)OCC(C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)OC(=O)C)C)O

DOS

IR

Vibrations