Geometry & MOs

Info

ID:	257519
PubChem CID:	103146774
Reduced:	ClN2O2F3C12H16 (1)
Stoich.:	AB2C2D3E12F16 (1)
Weight, g/mol:	284.02272
ΔH_f, kcal/mol:	-235.76
Dipole, Da:	1.79
IP(EA), eV:	-9.04(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-5-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Cl)CC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations