(6E)-6-({6-[2-(Dimethylamino)Ethyl]-1,3-Benzodioxol-5-Yl}Methylene)-6,7-Dihydro-8H-[1,3]Dioxolo[4,5-E]Isoindol-8-One

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Formula C21H20N2O5
IUPAC Name (6e)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylene]-[1,3]dioxolo[4,5-g]isoindol-8-one
Molecular Mass 380.394 g·mol−1
Heat of Formation -424.2 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 437.85 Å 3
Surface Area 368.3 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • (6e)-6-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylene]-[1,3]dioxolo[4,5-g]isoindol-8-one
  • (6e)-6-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]isoindol-8-one
  • 8h-1,3-dioxolo(4,5-e)isoindol-8-one, 6-((6-(2-(dimethylamino)ethyl)-1,3-benzodioxol-5-yl)methylene)-6,7-dihydro-
  • fumaramine
CAS Number(s)
  • 30341-99-2
InChIKey ZURFNKDWDFKHSG-VIZOYTHASA-N
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