Geometry & MOs

Info

ID:	4277
PubChem CID:	11095
Reduced:	O2H4C5 (3)
Stoich.:	A2B4C5 (3)
Weight, g/mol:	288.063388
ΔH_f, kcal/mol:	-208.49
Dipole, Da:	3.62
IP(EA), eV:	-9.09(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O

DOS

IR

Vibrations