Geometry & MOs

Info

ID:	9505
PubChem CID:	90353
Reduced:	O5C9H10 (1)
Stoich.:	A5B9C10 (1)
Weight, g/mol:	198.052823
ΔH_f, kcal/mol:	-177.44
Dipole, Da:	5.14
IP(EA), eV:	-9.38(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-hydroxy-6-methyl-4-oxopyran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=O)C(=C(O1)C)O

DOS

IR

Vibrations