Geometry & MOs

Info

ID:	24646
PubChem CID:	611721
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	-117.49
Dipole, Da:	6.48
IP(EA), eV:	-9.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-6-(2-phenylethenyl)pyran-4-yl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1=CC(=O)OC(=C1)C=CC2=CC=CC=C2

DOS

IR

Vibrations