Geometry & MOs

Info

ID:	980
PubChem CID:	3613
Reduced:	O5H10C13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	246.052823
ΔH_f, kcal/mol:	-137.72
Dipole, Da:	7.07
IP(EA), eV:	-9.06(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydroxyphenyl)ethenyl]-6-hydroxypyran-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC2=CC(=O)C=C(O2)O)O)O

DOS

IR

Vibrations