Geometry & MOs

Info

ID:	53655
PubChem CID:	14717686
Reduced:	O4F7C25H27 (1)
Stoich.:	A4B7C25D27 (1)
Weight, g/mol:	724.166982
ΔH_f, kcal/mol:	-497.92
Dipole, Da:	6.13
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phenyl] 4-octan-2-yloxybenzoate

Drug info:

PubChemData

Smile

CCCCCCC(C)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations