Geometry & MOs

Info

ID:	257535
PubChem CID:	103146856
Reduced:	O2F6H12C13 (1)
Stoich.:	A2B6C12D13 (1)
Weight, g/mol:	274.118064
ΔH_f, kcal/mol:	-387.89
Dipole, Da:	8.33
IP(EA), eV:	-9.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)CCOCC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations