3-(1-Piperazinyl)-9H-Dibenzo[C,F][1,2,4]Triazolo[4,3-A]Azepine

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Properties Simple | Detailed

Formula C19H19N5
IUPAC Name 3-piperazin-1-yl-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
Molecular Mass 317.388 g·mol−1
Heat of Formation 464.1 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 381.85 Å 3
Surface Area 322.11 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(piperazinyl)-1-9h-dibenz(c,f)triazolo(4,5-a)azepin
  • 9h-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine, 3-(1-piperazinyl)-
  • pitrazepin
CAS Number(s)
  • 90685-01-1
InChIKey GXFWOMYQHNODFA-UHFFFAOYSA-N
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Elements H C N