Geometry & MOs

Info

ID:	18271
PubChem CID:	539330
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-212.85
Dipole, Da:	3.81
IP(EA), eV:	-10.48(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetyloxy-1-bicyclo[2.2.2]octanyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC12CCC(CC1)(CC2)OC(=O)C

DOS

IR

Vibrations