Geometry & MOs

Info

ID:	21417
PubChem CID:	588167
Reduced:	ClF3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	296.042706
ΔH_f, kcal/mol:	-280.26
Dipole, Da:	0.52
IP(EA), eV:	-9.09(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl 2-(4-chloro-2-methylphenoxy)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCC(F)(F)F

DOS

IR

Vibrations