Geometry & MOs

Info

ID:	318152
PubChem CID:	126649089
Reduced:	BrN3H6C9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	210.008372
ΔH_f, kcal/mol:	94.73
Dipole, Da:	3.31
IP(EA), eV:	-9.33(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-methyl-1-benzofuran-6-carbonyl chloride

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=CC(=C2)C#N)Br

DOS

IR

Vibrations