Geometry & MOs

Info

ID:

759

PubChem CID:

3323

Reduced:

O3F6C27H38 (1)

Stoich.:

A3B6C27D38 (1)

Weight, g/mol:

524.272514

ΔHf, kcal/mol:

-478.78

Dipole, Da:

2.36

IP(EA), eV:

 -8.68(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[7a-methyl-1-[7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CC(CCCC(C(F)(F)F)(C(F)(F)F)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

DOS

IR

Vibrations