Geometry & MOs

Info

ID:	340885
PubChem CID:	127263320
Reduced:	NNaO5C11H16 (1)
Stoich.:	ABC5D11E16 (1)
Weight, g/mol:	212.120115
ΔH_f, kcal/mol:	-258.67
Dipole, Da:	13.13
IP(EA), eV:	-9.26(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-benzylidenebicyclo[2.2.2]octan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=O)C(C1)C(=O)[O-].[Na+]

DOS

IR

Vibrations