Geometry & MOs

Info

ID:	261005
PubChem CID:	103213975
Reduced:	ClFIO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	268.05227
ΔH_f, kcal/mol:	-60.07
Dipole, Da:	5.57
IP(EA), eV:	-8.9(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)C2=CC(=C(C=C2)I)Cl)F

DOS

IR

Vibrations