Geometry & MOs

Info

ID:	67147
PubChem CID:	46505952
Reduced:	NO3C30H37 (1)
Stoich.:	AB3C30D37 (1)
Weight, g/mol:	472.98129
ΔH_f, kcal/mol:	-71.68
Dipole, Da:	4.03
IP(EA), eV:	-8.75(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)OCCCC)/C4N(C2CC4)C

DOS

IR

Vibrations