1,3,6,9B-Tetraazaphenalene-4-Carbonitrile

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Formula C10H9N5+
IUPAC Name 2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene-6-carbonitrile
Molecular Mass 199.212 g·mol−1
Heat of Formation 521.8 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 214.67 Å 3
Surface Area 206.73 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry Cs
Synonyms
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  • 1
  • 3
  • 4
  • 6
  • 9
  • a
  • b
  • c
  • e
  • h
  • i
  • l
  • n
  • o
  • p
  • r
  • t
  • z
InChIKey CPVXOICRAYVITM-UHFFFAOYSA-N
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Elements H C N