Geometry & MOs

Info

ID:	53636
PubChem CID:	14717662
Reduced:	O4F7C24H25 (1)
Stoich.:	A4B7C24D25 (1)
Weight, g/mol:	610.157719
ΔH_f, kcal/mol:	-492.44
Dipole, Da:	4.93
IP(EA), eV:	-8.65(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)CCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations