2,6-Dimethyl-4-(2-Methyl-1,2-Dihydro-5H-Tetrazol-5-Ylidene)-2,5-Cyclohexadien-1-One

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Formula C10H12N4O
IUPAC Name 2,6-dimethyl-4-(2-methyltetrazole-1,2-diium-5-ylidene)cyclohexa-2,5-dien-1-one
Molecular Mass 204.228 g·mol−1
Heat of Formation 276.3 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 243.53 Å 3
Surface Area 236.66 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.80 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-dimethyl-4-(2-methyl-1h-1,2,3,4-tetrazol-5-ylidene)cyclohexa-2,5-dien-1-one
  • 2,6-dimethyl-4-(2-methyl-1h-tetrazol-5-ylidene)-1-cyclohexa-2,5-dienone
  • 2,6-dimethyl-4-(2-methyl-1h-tetrazol-5-ylidene)cyclohexa-2,5-dien-1-one
  • 5-(3,5-dimethyl-4-hydroxyphenyl)-2-methyltetrazole
  • phenol, 2,6-dimethyl-4-(2-methyl-2h-tetrazol-5-yl)-
  • tetrazole, 5-(3,5-dimethyl-4-hydroxyphenyl)-2-methyl-
  • win 58768
  • win-58768
CAS Number(s)
  • 152665-33-3
InChIKey SYBBZSRVBRTILW-UHFFFAOYSA-N
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