Geometry & MOs

Info

ID:	14098
PubChem CID:	404178
Reduced:	O3H7C9 (2)
Stoich.:	A3B7C9 (2)
Weight, g/mol:	326.079038
ΔH_f, kcal/mol:	-194.56
Dipole, Da:	4.09
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2',5'-dihydroxy-3-oxospiro[1H-indene-2,3'-2H-1-benzofuran]-4'-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC2=C1C3(CC4=CC=CC=C4C3=O)C(O2)O)O

DOS

IR

Vibrations