Geometry & MOs

Info

ID:	67136
PubChem CID:	46505934
Reduced:	NO7C28H33 (1)
Stoich.:	AB7C28D33 (1)
Weight, g/mol:	343.193614
ΔH_f, kcal/mol:	-182.31
Dipole, Da:	6.93
IP(EA), eV:	-8.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-8-methyl-2,4-bis[(2-methylphenyl)methylidene]-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

CN1C2/C(=C\C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)/C(=C/C4=CC(=C(C(=C4)OC)OC)OC)/C1CC2

DOS

IR

Vibrations