Geometry & MOs

Info

ID:	18156
PubChem CID:	538591
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-204.27
Dipole, Da:	2.12
IP(EA), eV:	-9.8(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-hydroxy-9-oxabicyclo[3.3.1]nonan-3-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CC2CCC(C(C1)O2)O

DOS

IR

Vibrations