Geometry & MOs

Info

ID:	294236
PubChem CID:	117439355
Reduced:	BrOF2N2H5C9 (1)
Stoich.:	ABC2D2E5F9 (1)
Weight, g/mol:	273.96408
ΔH_f, kcal/mol:	-37.41
Dipole, Da:	3.45
IP(EA), eV:	-9.6(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)F)Br)C2=CC(=NO2)N

DOS

IR

Vibrations