Geometry & MOs

Info

ID:	67145
PubChem CID:	46505949
Reduced:	N3O3C30H35 (1)
Stoich.:	A3B3C30D35 (1)
Weight, g/mol:	547.329774
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	1.19
IP(EA), eV:	-8.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2/C(=C\C3=CC=C(C=C3)N4CCOCC4)/C(=O)/C(=C/C5=CC=C(C=C5)N6CCOCC6)/C1CC2

DOS

IR

Vibrations