Geometry & MOs

Info

ID:	84840
PubChem CID:	49870281
Reduced:	O6H15C17 (1)
Stoich.:	A6B15C17 (1)
Weight, g/mol:	350.055716
ΔH_f, kcal/mol:	-178.65
Dipole, Da:	7.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.379284
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=[O+]C(=C(C=C2C(=C1)OC)O)C3=CC(=C(C=C3)O)O

DOS

IR

Vibrations