(3E,6Z)-3-Benzylidene-6-{4-[2-(Dimethylamino)Ethoxy]Benzylidene}-2,5-Piperazinedione

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Formula C22H23N3O3++
IUPAC Name (3e,6z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylene]pyrazine-2,5-dione
Molecular Mass 377.436 g·mol−1
Heat of Formation -158.0 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 457.83 Å 3
Surface Area 414.14 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,6z)-3-(benzylidene)-6-[4-(2-dimethylaminoethoxy)benzylidene]piperazine-2,5-quinone
  • (3z,6e)-3-[[4-(2-dimethylaminoethoxy)phenyl]methylene]-6-(phenylmethylene)piperazine-2,5-dione
  • (3z,6e)-3-[[4-(2-dimethylaminoethoxy)phenyl]methylidene]-6-(phenylmethylidene)piperazine-2,5-dione
  • 3-((4-(2-(dimethylamino)ethoxy)phenyl)methylene)-6-(phenylmethylene)-2,5-piperazinedione
  • xr 1853
  • xr-1853
CAS Number(s)
  • 158944-02-6
InChIKey SKAOOZAHHYQXKN-WOBBTWAASA-N
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