Geometry & MOs

Info

ID:	294759
PubChem CID:	117488825
Reduced:	BrFN3O3H7C9 (1)
Stoich.:	ABC3D3E7F9 (1)
Weight, g/mol:	302.99063
ΔH_f, kcal/mol:	-53.54
Dipole, Da:	3.51
IP(EA), eV:	-8.83(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

C1=C(C(=O)/C(=C\2/NOC(=N2)CN)/C(=C1Br)F)O

DOS

IR

Vibrations