Geometry & MOs

Info

ID:

376825

PubChem CID:

134222852

Reduced:

O3F10H24C29 (1)

Stoich.:

A3B10C24D29 (1)

Weight, g/mol:

560.252528

ΔHf, kcal/mol:

-571.45

Dipole, Da:

11.17

IP(EA), eV:

 -9.85(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[4-[2-[4-(ethoxymethyl)cyclohexyl]ethyl]cyclohexyl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F)(F)F)F

DOS

IR

Vibrations