Geometry & MOs

Info

ID:	163137
PubChem CID:	57646545
Reduced:	FO6H11C17 (1)
Stoich.:	AB6C11D17 (1)
Weight, g/mol:	296.068473
ΔH_f, kcal/mol:	-250.41
Dipole, Da:	5.66
IP(EA), eV:	-10.18(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-4-hydroxy-2-oxochromene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C2=CC3=C(C=C2)OC(=O)C(=C3O)C(=O)O)O)F

DOS

IR

Vibrations