Geometry & MOs

Info

ID:	53642
PubChem CID:	14717669
Reduced:	O4F12H26C27 (1)
Stoich.:	A4B12C26D27 (1)
Weight, g/mol:	682.120032
ΔH_f, kcal/mol:	-732.59
Dipole, Da:	6.28
IP(EA), eV:	-8.92(-0.68)
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-(2-methylbutoxy)benzoate

Drug info:

PubChemData

Smile

CCC(C)CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations