Geometry & MOs

Info

ID:	221109
PubChem CID:	85256842
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	278.188195
ΔH_f, kcal/mol:	-109.34
Dipole, Da:	2.85
IP(EA), eV:	-10.49(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,6-dimethyl-6-(3-methylbut-2-enyl)-5-oxobicyclo[2.2.2]octane-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CC1(CCCCC1C2CCCCC2)C#N

DOS

IR

Vibrations