Geometry & MOs

Info

ID:	381203
PubChem CID:	134971861
Reduced:	O7H16C18 (1)
Stoich.:	A7B16C18 (1)
Weight, g/mol:	224.032088
ΔH_f, kcal/mol:	-195.17
Dipole, Da:	1.57
IP(EA), eV:	-9.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-4-methoxy-3-oxo-1H-2-benzofuran-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2(C3=CC=CC=C3C1O2)C(=C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations