Geometry & MOs

Info

ID:	257542
PubChem CID:	103146918
Reduced:	O2F3C7H7 (1)
Stoich.:	A2B3C7D7 (1)
Weight, g/mol:	282.06792
ΔH_f, kcal/mol:	-182.5
Dipole, Da:	1.88
IP(EA), eV:	-10.66(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-difluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

C#CC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations