Geometry & MOs

Info

ID:	6468
PubChem CID:	68695
Reduced:	O3H5C6 (2)
Stoich.:	A3B5C6 (2)
Weight, g/mol:	250.047738
ΔH_f, kcal/mol:	-196.06
Dipole, Da:	12.01
IP(EA), eV:	-9.28(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-4-methyl-7-oxochromen-6-yl)oxyacetic acid

Drug info:

PubChemData

Smile

CC1=C2C=C(C(=O)C=C2OC(=C1)O)OCC(=O)O

DOS

IR

Vibrations