Geometry & MOs

Info

ID:	257547
PubChem CID:	103146952
Reduced:	BrNO2F3C11H11 (1)
Stoich.:	ABC2D3E11F11 (1)
Weight, g/mol:	291.108228
ΔH_f, kcal/mol:	-214.28
Dipole, Da:	5.1
IP(EA), eV:	-9.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=NC=C1Br)CC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations