Geometry & MOs

Info

ID:	257532
PubChem CID:	103146838
Reduced:	F3O3H13C14 (1)
Stoich.:	A3B3C13D14 (1)
Weight, g/mol:	251.056941
ΔH_f, kcal/mol:	-237.26
Dipole, Da:	4.9
IP(EA), eV:	-9.38(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoropyridin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(O2)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations