Methyl (2S)-3-[(1E)-13,13-Dibromo-1,12-Tridecadien-1-Yl]-2H-Azirene-2-Carboxylate

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Properties Simple | Detailed

Formula C17H25Br2NO2
IUPAC Name methyl (2s)-3-[(1e)-13,13-dibromotrideca-1,12-dienyl]-2h-azirine-2-carboxylate
Molecular Mass 435.194 g·mol−1
Heat of Formation -77.9 ± 16.7 kJ·mol−1
Dipole Moment 1.69 ± 1.08 D
Volume 453.96 Å 3
Surface Area 426.4 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[(1e)-13,13-dibromotrideca-1,12-dienyl]-2h-azirine-2-carboxylic acid methyl ester
  • antazirine
  • methyl (2s)-3-[(1e)-13,13-dibromotrideca-1,12-dienyl]-2h-azirine-2-carboxylate
CAS Number(s)
  • 170554-75-3
InChIKey KUIICVNFNJTIGS-TYZQSYOASA-N
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Elements H C O Br N