5-{6-[(3Ar,6As)-5-Methylhexahydropyrrolo[3,4-C]Pyrrol-2(1H)-Yl]-3-Pyridazinyl}-1H-Indole

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Properties Simple | Detailed

Formula C19H21N5
IUPAC Name 5-[6-[(3as,6ar)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]indol-1-ium-5-ide
Molecular Mass 319.404 g·mol−1
Heat of Formation 427.4 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 386.56 Å 3
Surface Area 346.96 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[6-[(3ar,6as)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridazinyl]-1h-indole
  • 5-[6-[(3ar,6as)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-1h-indole
InChIKey QLRNTKYYDKUMQG-IYBDPMFKSA-N
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