Geometry & MOs

Info

ID:	7021
PubChem CID:	70998
Reduced:	ClH3O4C9 (1)
Stoich.:	AB3C4D9 (1)
Weight, g/mol:	209.971986
ΔH_f, kcal/mol:	-117.53
Dipole, Da:	3.3
IP(EA), eV:	-11.6(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dioxo-2-benzofuran-5-carbonyl chloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=O)Cl)C(=O)OC2=O

DOS

IR

Vibrations