Geometry & MOs

Info

ID:	53633
PubChem CID:	14717659
Reduced:	O5F15H29C30 (1)
Stoich.:	A5B15C29D30 (1)
Weight, g/mol:	582.126419
ΔH_f, kcal/mol:	-926.16
Dipole, Da:	4.76
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylbutoxy)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)C(=O)OC2=CC=C(C=C2)OCCOCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations