Geometry & MOs

Info

ID:	125853
PubChem CID:	50941559
Reduced:	O4H14C19 (1)
Stoich.:	A4B14C19 (1)
Weight, g/mol:	292.073559
ΔH_f, kcal/mol:	-58.58
Dipole, Da:	3.89
IP(EA), eV:	-8.63(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethynyl-6-hydroxy-2-(4-methylphenyl)-1-benzofuran-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3O2)O)C(=O)OC)C#C

DOS

IR

Vibrations