Geometry & MOs

Info

ID:	84842
PubChem CID:	49870283
Reduced:	O6H15C17 (1)
Stoich.:	A6B15C17 (1)
Weight, g/mol:	366.050631
ΔH_f, kcal/mol:	-178.26
Dipole, Da:	7.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.374064
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxy-5,7-dimethoxychromenylium-2-yl)benzene-1,2,3-triol;chloride

Drug info:

PubChemData

Smile

COC1=CC(=CC2=[O+]C(=C(C=C12)O)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations