2-(1,3-Benzothiazol-2-Yl)-1,2,4,5,6,7-Hexahydro-3H-Indazol-3-One

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Properties Simple | Detailed

Formula C14H13N3OS
IUPAC Name 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazole-1,2-diium-3-one
Molecular Mass 271.338 g·mol−1
Heat of Formation 205.4 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 303.23 Å 3
Surface Area 281.27 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1h-indazol-3-one
InChIKey QWUHPPCZZXKXOQ-UHFFFAOYSA-N
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