Geometry & MOs

Info

ID:	372432
PubChem CID:	131297533
Reduced:	BrON4H5C8 (1)
Stoich.:	ABC4D5E8 (1)
Weight, g/mol:	200.0285
ΔH_f, kcal/mol:	82.82
Dipole, Da:	5.96
IP(EA), eV:	-9.33(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-difluoro-7-methoxy-1-benzofuran-3-one

Drug info:

PubChemData

Smile

COC1=CC(=NC2=C(C=NN12)Br)C#N

DOS

IR

Vibrations