Geometry & MOs

Info

ID:	321719
PubChem CID:	126666880
Reduced:	OF7H9C12 (2)
Stoich.:	AB7C9D12 (2)
Weight, g/mol:	550.061374
ΔH_f, kcal/mol:	-770.86
Dipole, Da:	2.69
IP(EA), eV:	-9.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-[1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-hydroxyphenyl]ethyl]phenol

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=C(C=C2)O)C(C(C(F)(F)F)(F)F)(F)F)C3=CC(=C(C=C3)O)C(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations