Geometry & MOs

Info

ID:	53644
PubChem CID:	14717671
Reduced:	O3F11H21C24 (1)
Stoich.:	A3B11C21D24 (1)
Weight, g/mol:	582.126419
ΔH_f, kcal/mol:	-644.78
Dipole, Da:	0.67
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations