Geometry & MOs

Info

ID:	53643
PubChem CID:	14717670
Reduced:	O4F15H21C26 (1)
Stoich.:	A4B15C21D26 (1)
Weight, g/mol:	566.131504
ΔH_f, kcal/mol:	-870.71
Dipole, Da:	6.37
IP(EA), eV:	-8.89(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylbutyl)phenyl] 4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)benzoate

Drug info:

PubChemData

Smile

CCC(C)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations