Geometry & MOs

Info

ID:	399720
PubChem CID:	135042050
Reduced:	AlCOH3 (2)
Stoich.:	ABCD3 (2)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-141.84
Dipole, Da:	4.62
IP(EA), eV:	-7.92(1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R,8R)-8-cyclohexyl-8-methylbicyclo[4.2.0]oct-2-en-7-one

Drug info:

PubChemData

Smile

CO[Al]O[Al]C

DOS

IR

Vibrations