Geometry & MOs

Info

ID:	23002
PubChem CID:	600751
Reduced:	OH2F7C10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	541.998774
ΔH_f, kcal/mol:	-602.77
Dipole, Da:	1.04
IP(EA), eV:	-9.98(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methoxy]benzene

Drug info:

PubChemData

Smile

C(C1=C(C(=C(C(=C1F)F)COC2=C(C(=C(C(=C2F)F)F)F)F)F)F)OC3=C(C(=C(C(=C3F)F)F)F)F

DOS

IR

Vibrations