Geometry & MOs

Info

ID:	373446
PubChem CID:	131315461
Reduced:	ClO3H5C8 (1)
Stoich.:	AB3C5D8 (1)
Weight, g/mol:	180.042259
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	2.37
IP(EA), eV:	-9.39(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-4-(hydroxymethyl)-1-benzofuran-3-one

Drug info:

PubChemData

Smile

C1C(=O)C2=C(O1)C=CC(=C2O)Cl

DOS

IR

Vibrations