Geometry & MOs

Info

ID:	398984
PubChem CID:	135036752
Reduced:	NO4C6H9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	232.037173
ΔH_f, kcal/mol:	-161.47
Dipole, Da:	3.98
IP(EA), eV:	-9.77(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxy-6-methyl-2-oxopyran-3-yl)cyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

C1[C@H]2C(O[C@H](O2)CN1)C(=O)O

DOS

IR

Vibrations