Batelapine

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Properties Simple | Detailed

Formula C16H20N6
IUPAC Name 2-methyl-5-(4-methylpiperazin-1-yl)-11h-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
Molecular Mass 296.370 g·mol−1
Heat of Formation 406.3 ± 16.7 kJ·mol−1
Dipole Moment 1.53 ± 1.08 D
Volume 358.83 Å 3
Surface Area 315.27 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 11h-(1,2,4)triazolo(1,5-c)(1,3)benzodiazepine, 2-methyl-5-(4-methyl-1-piperazinyl)-
  • 2-methyl-5-(4-methyl-1-piperazinyl)-11h-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
CAS Number(s)
  • 95634-82-5
InChIKey PUHMYHQVPODHCZ-UHFFFAOYSA-N
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DOI
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Elements H C N