Geometry & MOs

Info

ID:	260836
PubChem CID:	103206494
Reduced:	BrF3O4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	272.077262
ΔH_f, kcal/mol:	-279.53
Dipole, Da:	2.39
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)COCC(F)(F)F)Br)OC

DOS

IR

Vibrations