3-(1-Benzyl-1H-1,2,3-Triazol-4-Yl)-1H-Pyrrolo[2,3-B]Pyridine

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Properties Simple | Detailed

Formula C16H13N5
IUPAC Name 3-(1-benzyl-1h-1,2,3-triazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
Molecular Mass 275.308 g·mol−1
Heat of Formation 581.3 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 324.86 Å 3
Surface Area 299.91 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
InChIKey ZTBIRAQXLAIYLL-UHFFFAOYSA-O
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Elements H C N