Geometry & MOs

Info

ID:	216641
PubChem CID:	85086551
Reduced:	O7C13H20 (1)
Stoich.:	A7B13C20 (1)
Weight, g/mol:	288.099774
ΔH_f, kcal/mol:	-335.47
Dipole, Da:	1.0
IP(EA), eV:	-10.03(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(4-methoxyphenyl)methylidene]-2-oxopyran-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)OCCC1CC(C(O1)COC(=O)C)OC(=O)C

DOS

IR

Vibrations