Geometry & MOs

Info

ID:	84841
PubChem CID:	49870282
Reduced:	ClO6H15C17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	315.086863
ΔH_f, kcal/mol:	-198.43
Dipole, Da:	7.83
IP(EA), eV:	-8.95(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-hydroxy-3-methoxyphenyl)-5-methoxychromenylium-3,7-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations