Geometry & MOs

Info

ID:	127751
PubChem CID:	51013727
Reduced:	OH4C5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	282.138658
ΔH_f, kcal/mol:	-13.22
Dipole, Da:	3.47
IP(EA), eV:	-10.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,6R)-4,6-dimethyl-6-(3-methylbut-2-enyl)-5-oxobicyclo[2.2.2]octane-2-carbonyl chloride

Drug info:

PubChemData

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C1=C[C@@H]2[C@@H]3[C@@H]([C@H]1C2=O)C=CC3=O

DOS

IR

Vibrations