3-(4-Chloro-1H-Pyrrolo[2,3-B]Pyridin-2-Yl)-5,6-Dimethoxy-1-Methyl-1H-Pyrrolo[3,2-B]Pyridine

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Properties Simple | Detailed

Formula C17H15ClN4O2
IUPAC Name 3-(4-chloro-3h-pyrrolo[2,3-b]pyridin-1-ium-3-id-2-yl)-5,6-dimethoxy-1-methyl-pyrrolo[3,2-b]pyridin-1-ium-4-ide
Molecular Mass 342.780 g·mol−1
Heat of Formation 56.5 ± 16.7 kJ·mol−1
Dipole Moment 8.20 ± 1.08 D
Volume 378.53 Å 3
Surface Area 342.27 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-chloro-1h-pyrrolo[5,4-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-pyrrolo[3,2-b]pyridine
InChIKey ISLVGFDZMORPFI-UHFFFAOYSA-N
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Elements H C N O Cl