Geometry & MOs

Info

ID:

376386

PubChem CID:

134222398

Reduced:

O2F6H22C29 (1)

Stoich.:

A2B6C22D29 (1)

Weight, g/mol:

560.199743

ΔHf, kcal/mol:

-298.82

Dipole, Da:

7.66

IP(EA), eV:

 -9.32(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]cyclohexyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F

DOS

IR

Vibrations