Geometry & MOs

Info

ID:	31162
PubChem CID:	854903
Reduced:	O3H18C23 (1)
Stoich.:	A3B18C23 (1)
Weight, g/mol:	236.032088
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	4.38
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dihydroxy-7-oxochromen-4-yl)acetic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations