Geometry & MOs

Info

ID:	337063
PubChem CID:	127256628
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-130.82
Dipole, Da:	4.7
IP(EA), eV:	-9.13(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C[C@@H](OC=C1)C(=O)OCCCC=O

DOS

IR

Vibrations