Geometry & MOs

Info

ID:	53624
PubChem CID:	14717644
Reduced:	BrF17C19H22 (1)
Stoich.:	AB17C19D22 (1)
Weight, g/mol:	642.162804
ΔH_f, kcal/mol:	-898.4
Dipole, Da:	2.93
IP(EA), eV:	-10.54(-0.49)
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-[4-(2-methylbutyl)phenyl]benzoate

Drug info:

PubChemData

Smile

C(CCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCBr

DOS

IR

Vibrations