Geometry & MOs

Info

ID:	18319
PubChem CID:	539619
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-189.9
Dipole, Da:	3.44
IP(EA), eV:	-10.29(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-oxo-9-oxabicyclo[3.3.1]nonan-2-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2CC(=O)CC1O2

DOS

IR

Vibrations