Geometry & MOs

Info

ID:	225414
PubChem CID:	85756794
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	222.016438
ΔH_f, kcal/mol:	-76.32
Dipole, Da:	2.11
IP(EA), eV:	-9.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-3H-1-benzofuran-4,5-dicarboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1CC(CN1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations