Geometry & MOs

Info

ID:

376380

PubChem CID:

134222392

Reduced:

OF7H21C30 (1)

Stoich.:

AB7C21D30 (1)

Weight, g/mol:

594.124133

ΔHf, kcal/mol:

-276.69

Dipole, Da:

5.69

IP(EA), eV:

 -9.37(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethynyl]benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations