Geometry & MOs

Info

ID:	30409
PubChem CID:	841284
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-73.33
Dipole, Da:	3.35
IP(EA), eV:	-8.23(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(2,3-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)C3CCN2CC3

DOS

IR

Vibrations