Geometry & MOs

Info

ID:	393128
PubChem CID:	135019476
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-136.98
Dipole, Da:	4.33
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,6R)-6-(2-methoxypropan-2-yl)-1-methylbicyclo[3.3.1]nonan-3-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(\C)/C#CC1=CCC2(CC1)OCCO2

DOS

IR

Vibrations