Geometry & MOs

Info

ID:

376821

PubChem CID:

134222848

Reduced:

OF5H13C15 (2)

Stoich.:

AB5C13D15 (2)

Weight, g/mol:

528.133555

ΔHf, kcal/mol:

-548.8

Dipole, Da:

12.08

IP(EA), eV:

 -9.85(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[4-(methoxymethyl)cyclohexen-1-yl]benzene

Drug info:

PubChemData

Smile

CCCOCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)C(F)(F)F)F)(F)F)F)F

DOS

IR

Vibrations