Geometry & MOs

Info

ID:	58994
PubChem CID:	24770183
Reduced:	O8H14C17 (1)
Stoich.:	A8B14C17 (1)
Weight, g/mol:	166.062994
ΔH_f, kcal/mol:	-276.42
Dipole, Da:	6.9
IP(EA), eV:	-9.38(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-4,6-dimethylpyran-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)OC)C(=O)OC2C3=C(C=C(C=C3O)C(=O)O)O

DOS

IR

Vibrations