3-(1-Methyl-4-Piperidinyl)-5-(4H-1,2,4-Triazol-4-Yl)-1H-Indole

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Properties Simple | Detailed

Formula C16H19N5
IUPAC Name 3-(1-methylpiperidin-4-yl)-5-(1,2,4-triazol-4-yl)-1h-indole
Molecular Mass 281.356 g·mol−1
Heat of Formation 381.1 ± 16.7 kJ·mol−1
Dipole Moment 8.06 ± 1.08 D
Volume 344.76 Å 3
Surface Area 310.77 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-(1-methyl-4-piperidinyl)-5-(1,2,4-triazol-4-yl)-1h-indole
  • 3-(1-methyl-4-piperidyl)-5-(1,2,4-triazol-4-yl)-1h-indole
InChIKey VXEWHMQYWRWFDO-UHFFFAOYSA-N
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Elements H C N