Geometry & MOs

Info

ID:	21232
PubChem CID:	587749
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-118.75
Dipole, Da:	3.03
IP(EA), eV:	-9.88(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyloxybicyclo[2.2.2]octan-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)OC23CCC(CC2)C(=O)C3

DOS

IR

Vibrations