N3-(Blahcyclopenta-3,5-Dien-5-Yl)-N6-(1,4-Diaza-2-Azonia-3-Azanidacyclopenta-1,4-Dien-5-Yl)-1,2,4,5-Tetrazine-3,6-Diamine

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Properties Simple | Detailed

Formula C4H4N14
IUPAC Name n3-(blahcyclopenta-3,5-dien-5-yl)-n6-(1,4-diaza-2-azonia-3-azanidacyclopenta-1,4-dien-5-yl)-1,2,4,5-tetrazine-3,6-diamine
Molecular Mass 248.168 g·mol−1
Heat of Formation 1173.2 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 242.85 Å 3
Surface Area 241.7 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C2
Synonyms
  • 2h-tetrazol-5-yl-[6-(2h-tetrazol-5-ylamino)-1,2,4,5-tetrazin-3-yl]amine
  • n,n'-bis(2h-1,2,3,4-tetrazol-5-yl)-1,2,4,5-tetrazine-3,6-diamine
InChIKey UDJIUFKEBRBYGX-UHFFFAOYSA-N
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Elements H C N