Geometry & MOs

Info

ID:	53627
PubChem CID:	14717649
Reduced:	O3F15H21C26 (1)
Stoich.:	A3B15C21D26 (1)
Weight, g/mol:	650.130202
ΔH_f, kcal/mol:	-842.74
Dipole, Da:	6.28
IP(EA), eV:	-8.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 4-[4-(2-methylbutyl)phenyl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations