Geometry & MOs

Info

ID:	67134
PubChem CID:	46505932
Reduced:	N3O5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	343.193614
ΔH_f, kcal/mol:	33.9
Dipole, Da:	2.66
IP(EA), eV:	-9.66(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/C1CC2

DOS

IR

Vibrations