Geometry & MOs

Info

ID:	21956
PubChem CID:	594284
Reduced:	O2F3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	288.133714
ΔH_f, kcal/mol:	-230.45
Dipole, Da:	1.05
IP(EA), eV:	-10.6(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexyl 2,3,4-trifluorobenzoate

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)C1=C(C(=C(C=C1)F)F)F

DOS

IR

Vibrations