Geometry & MOs

Info

ID:

297431

PubChem CID:

117617284

Reduced:

O3F8C25H26 (1)

Stoich.:

A3B8C25D26 (1)

Weight, g/mol:

654.350764

ΔHf, kcal/mol:

-498.55

Dipole, Da:

4.99

IP(EA), eV:

-9.0(-0.66)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-butoxy-4-[3-[2,3-difluoro-4-[3-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]propoxy]phenyl]-2-fluoropropoxy]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C=C1)OCC(CC2=C(C(=C(C=C2)OC(C3CCC(CC3)C)(F)F)F)F)(F)F)F)F

DOS

IR

Vibrations