Geometry & MOs

Info

ID:	321725
PubChem CID:	126666891
Reduced:	OH4F7C9 (2)
Stoich.:	AB4C7D9 (2)
Weight, g/mol:	450.067761
ΔH_f, kcal/mol:	-746.07
Dipole, Da:	2.64
IP(EA), eV:	-9.58(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[4-hydroxy-3-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]-2-(1,1,2,2,2-pentafluoroethyl)phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)C(C(C(F)(F)F)(F)F)(F)F)C2=C(C=C(C=C2)O)C(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations