Geometry & MOs

Info

ID:	53654
PubChem CID:	14717683
Reduced:	O4F20H26C31 (1)
Stoich.:	A4B20C26D31 (1)
Weight, g/mol:	524.179756
ΔH_f, kcal/mol:	-1119.05
Dipole, Da:	5.19
IP(EA), eV:	-8.97(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,2,3,3,4,4,4-heptafluorobutoxy)phenyl] 4-octan-2-yloxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations