Geometry & MOs

Info

ID:	337062
PubChem CID:	127256627
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	1.11
IP(EA), eV:	-8.89(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxobutyl (2R)-2H-pyran-2-carboxylate

Drug info:

PubChemData

Smile

C1CC=C(C=C1)COC(=O)C2C=CC=CO2

DOS

IR

Vibrations