Geometry & MOs

Info

ID:

59333

PubChem CID:

24797278

Reduced:

O5C32H60 (1)

Stoich.:

A5B32C60 (1)

Weight, g/mol:

404.27153

ΔHf, kcal/mol:

-335.2

Dipole, Da:

5.57

IP(EA), eV:

 -9.76(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[[4-[(E)-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)methyl]phenyl]methylidene]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CCCCOC1C(C(C(C=C1CCC(C)CCCC(C)CCCC(C)(CCCC(C)C(=O)O)O)O)C)C

DOS

IR

Vibrations