2-{[(3R)-3-Acetamido-2,3-Dihydro-1H-Inden-5-Yl]Oxy}-N-[(1S)-1-Cyclopropylethyl]-4H-Pyrrolo[2,3-B]Pyrazine-7-Carboxamide

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Properties Simple | Detailed

Formula C23H25N5O3
IUPAC Name 2-[(3r)-3-acetamidoindan-5-yl]oxy-n-[(1s)-1-cyclopropylethyl]-6h-pyrrolo[2,3-b]pyrazin-5-ium-6-ylium-7-carboxamide
Molecular Mass 419.476 g·mol−1
Heat of Formation -145.9 ± 16.7 kJ·mol−1
Dipole Moment 8.72 ± 1.08 D
Volume 502.21 Å 3
Surface Area 413.98 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey ZLMYXZMBDPHCEG-HXPMCKFVSA-N
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