Geometry & MOs

Info

ID:	257516
PubChem CID:	103146753
Reduced:	ClOF2N2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	247.082013
ΔH_f, kcal/mol:	-99.44
Dipole, Da:	5.49
IP(EA), eV:	-9.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylpyridin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CCOCC(F)F)C2=CC=CC=C2

DOS

IR

Vibrations