Ethyl 3,6-Dimethyl-3H-Pyrazolo[1,5-D]Tetrazole-7-Carboxylate

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Formula C8H11N5O2
IUPAC Name ethyl 3,6-dimethylpyrazolo[5,1-e]tetrazole-3,4-diium-7-carboxylate
Molecular Mass 209.205 g·mol−1
Heat of Formation 187.9 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 241.02 Å 3
Surface Area 234.02 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 3,6-dimethyl-7-pyrazolo[5,1-e]tetrazolecarboxylic acid ethyl ester
  • 3,6-dimethylpyrazolo[5,1-e]tetrazole-7-carboxylic acid ethyl ester
  • ethyl 3,6-dimethylpyrazolo[5,1-e][1,2,3,4]tetrazole-7-carboxylate
  • ethyl 3,6-dimethylpyrazolo[5,1-e]tetrazole-7-carboxylate
InChIKey OYVHCLCAWDQUJY-UHFFFAOYSA-N
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