Geometry & MOs

Info

ID:	257534
PubChem CID:	103146855
Reduced:	F3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	314.074149
ΔH_f, kcal/mol:	-273.5
Dipole, Da:	2.37
IP(EA), eV:	-8.78(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations