Geometry & MOs

Info

ID:	67139
PubChem CID:	46505938
Reduced:	NO5C26H29 (1)
Stoich.:	AB5C26D29 (1)
Weight, g/mol:	533.00242
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	5.44
IP(EA), eV:	-8.31(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2,4-bis[(5-bromo-2-methoxyphenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations