Geometry & MOs

Info

ID:	53647
PubChem CID:	14717675
Reduced:	O4F17C39H45 (1)
Stoich.:	A4B17C39D45 (1)
Weight, g/mol:	544.125134
ΔH_f, kcal/mol:	-1034.39
Dipole, Da:	4.34
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations