Geometry & MOs

Info

ID:	203802
PubChem CID:	79872827
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	256.073559
ΔH_f, kcal/mol:	-112.26
Dipole, Da:	4.64
IP(EA), eV:	-9.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-(3-phenylprop-2-ynoxy)pyran-4-one

Drug info:

PubChemData

Smile

C=CCCOC1=COC(=CC1=O)CO

DOS

IR

Vibrations