Geometry & MOs

Info

ID:	380355
PubChem CID:	134970778
Reduced:	IO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	314.115424
ΔH_f, kcal/mol:	-85.82
Dipole, Da:	3.28
IP(EA), eV:	-9.39(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-3-acetyloxy-6-(2-phenylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(C/C=C(\C)/I)OCC

DOS

IR

Vibrations