Geometry & MOs

Info

ID:	53635
PubChem CID:	14717661
Reduced:	O4F15H21C26 (1)
Stoich.:	A4B15C21D26 (1)
Weight, g/mol:	510.164106
ΔH_f, kcal/mol:	-868.45
Dipole, Da:	2.7
IP(EA), eV:	-8.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylhexoxy)phenyl] 4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzoate

Drug info:

PubChemData

Smile

CCC(C)COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)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