Geometry & MOs

Info

ID:	53645
PubChem CID:	14717672
Reduced:	O4F11H21C24 (1)
Stoich.:	A4B11C21D24 (1)
Weight, g/mol:	696.135682
ΔH_f, kcal/mol:	-677.48
Dipole, Da:	7.54
IP(EA), eV:	-8.95(-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-methylbutoxymethyl)benzoate

Drug info:

PubChemData

Smile

CCC(C)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations