Geometry & MOs

Info

ID:

297037

PubChem CID:

117606733

Reduced:

OH30C38 (1)

Stoich.:

AB30C38 (1)

Weight, g/mol:

432.287574

ΔHf, kcal/mol:

98.86

Dipole, Da:

2.72

IP(EA), eV:

 -8.45(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,5R,6R)-6-[(2E,6E)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-2-methoxy-3,5-dimethyl-4-oxocyclohex-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

C1CC(=CC=C1C2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=C(CC5)C6(C7=CC=CC=C7C8=CC=CC=C86)O

DOS

IR

Vibrations