Geometry & MOs

Info

ID:

179602

PubChem CID:

76508656

Reduced:

SiO6C33H52 (1)

Stoich.:

AB6C33D52 (1)

Weight, g/mol:

454.344695

ΔHf, kcal/mol:

-333.67

Dipole, Da:

3.01

IP(EA), eV:

 -8.81(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[1-(5-cyclohexyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCCC(=O)OC1=C(C(C(C1)O[Si](C)(C)C(C)(C)C)C=CCCC2=CC=CC=C2)CCCCCC(C(=O)OC)O

DOS

IR

Vibrations