Geometry & MOs

Info

ID:	67133
PubChem CID:	46505929
Reduced:	NO5C26H29 (1)
Stoich.:	AB5C26D29 (1)
Weight, g/mol:	405.132471
ΔH_f, kcal/mol:	-107.72
Dipole, Da:	3.83
IP(EA), eV:	-8.06(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C\2CCC1/C(=C/C3=C(C=CC(=C3)OC)OC)/C(=O)/C2=C/C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations