5,5,7,7-Tetramethyl-3-(3-Nitrophenyl)-5,7-Dihydrofuro[3,4-E][1,2,4]Triazine 4-Oxide

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Formula C15H22N4O4+
IUPAC Name 5,5,7,7-tetramethyl-3-(3-nitrophenyl)-4-oxidofuro[3,4-e][1,2,4]triazin-4-ium
Molecular Mass 322.360 g·mol−1
Heat of Formation 68.3 ± 16.7 kJ·mol−1
Dipole Moment 5.64 ± 1.08 D
Volume 361.82 Å 3
Surface Area 318.75 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 5,5,7,7-tetramethyl-3-(3-nitrophenyl)-4-oxido-furo[3,4-e][1,2,4]triazin-4-ium
  • 5,7-dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide
  • dhtm-npfto
  • furo(3,4-e)-1,2,4-triazine, 5,7-dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)-, 4-oxide
CAS Number(s)
  • 59118-15-9
InChIKey RXJWBJGNIOZICN-UHFFFAOYSA-N
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