Geometry & MOs

Info

ID:

219810

PubChem CID:

85164919

Reduced:

O3C19H24 (2)

Stoich.:

A3B19C24 (2)

Weight, g/mol:

600.41786

ΔHf, kcal/mol:

-221.88

Dipole, Da:

0.96

IP(EA), eV:

 -9.33(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[18-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol

Drug info:

PubChemData

Smile

CC(=CC1C(C(C(=O)O1)C2CCC34C2(C3)C=CC5C4(C(CC6C5(CC=C7C6(COC(C7)C8=CC=CC=C8)C)C)O)C)O)CO

DOS

IR

Vibrations