Geometry & MOs

Info

ID:

181

PubChem CID:

2246

Reduced:

OC10H13 (4)

Stoich.:

AB10C13 (4)

Weight, g/mol:

596.38656

ΔHf, kcal/mol:

-99.57

Dipole, Da:

3.97

IP(EA), eV:

 -8.24(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-hydroxy-3-[18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C

DOS

IR

Vibrations