Geometry & MOs

Info

ID:

376418

PubChem CID:

134222431

Reduced:

N2O2F8H18C27 (1)

Stoich.:

A2B2C8D18E27 (1)

Weight, g/mol:

634.211806

ΔHf, kcal/mol:

-365.54

Dipole, Da:

10.68

IP(EA), eV:

 -9.49(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]benzene

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)OCF)F)F)(F)F)F

DOS

IR

Vibrations