Geometry & MOs

Info

ID:	17139
PubChem CID:	485521
Reduced:	O8H12C15 (1)
Stoich.:	A8B12C15 (1)
Weight, g/mol:	320.053217
ΔH_f, kcal/mol:	-296.68
Dipole, Da:	3.8
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trihydroxy-2-[(3,4,5-trihydroxyphenyl)methyl]-1-benzofuran-3-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1O)O)O)CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O

DOS

IR

Vibrations