Geometry & MOs

Info

ID:

376422

PubChem CID:

134222435

Reduced:

O3F9H27C34 (1)

Stoich.:

A3B9C27D34 (1)

Weight, g/mol:

606.086446

ΔHf, kcal/mol:

-491.2

Dipole, Da:

8.72

IP(EA), eV:

 -9.39(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3,5-difluoro-4-[(E)-1,1,2,3,4,4,4-heptafluorobut-2-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-propylphenyl)benzene

Drug info:

PubChemData

Smile

CCCC1CCC(OC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)C4=CC(=C(C(=C4)F)C(OC5=CC(=C(C=C5)OCF)F)(F)F)F)F)F

DOS

IR

Vibrations