Geometry & MOs

Info

ID:	387994
PubChem CID:	134987735
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	3.47
IP(EA), eV:	-9.38(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]1C(=CC[C@@H](O1)/C(=C/CCC=O)/C)C

DOS

IR

Vibrations