Geometry & MOs

Info

ID:	375177
PubChem CID:	131472763
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	283.96842
ΔH_f, kcal/mol:	4.06
Dipole, Da:	6.52
IP(EA), eV:	-8.85(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CSC2=C1C(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations