Geometry & MOs

Info

ID:	257544
PubChem CID:	103146929
Reduced:	ClN2O2F3C13H18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	288.097329
ΔH_f, kcal/mol:	-239.61
Dipole, Da:	2.79
IP(EA), eV:	-9.25(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclopropyloxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)CC(=O)CCOCC(F)(F)F)CC

DOS

IR

Vibrations