Geometry & MOs

Info

ID:

169259

PubChem CID:

75080985

Reduced:

OC16H20 (1)

Stoich.:

AB16C20 (1)

Weight, g/mol:

636.402604

ΔHf, kcal/mol:

-14.55

Dipole, Da:

1.39

IP(EA), eV:

 -8.87(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-hydroxy-4-[11-[3-[2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)ethenyl]-2-oxo-3H-furan-5-yl]-3,10-dimethylundeca-5,7,9-trienylidene]-3,5,5-trimethylcyclohexyl] acetate

Drug info:

PubChemData

Smile

CC(C)CC=CCCC1=CC2=CC=CC=C2O1

DOS

IR

Vibrations