[3-(2-Methyl-1H-Pyrrolo[2,3-B]Pyridin-3-Yl)Pyrrolidin-1-Yl]-[1-(2-Pyridyl)Cyclopropyl]Methanone

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Properties Simple | Detailed

Formula C21H24N4O
IUPAC Name [(3r)-3-(2-methyl-1h-pyrrolo[2,3-b]pyridin-7-ium-3a-id-3-yl)pyrrolidin-1-yl]-[1-(3h-pyridin-1-ium-3-id-6-yl)cyclopropyl]methanone
Molecular Mass 348.441 g·mol−1
Heat of Formation 191.2 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 422.39 Å 3
Surface Area 350.86 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey HUWRMRPEILCPLL-OAHLLOKOSA-O
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