(+)-Diniconazole

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Properties Simple | Detailed

Formula C15H17Cl2N3O
IUPAC Name (e,3s)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-pent-1-en-3-ol
Molecular Mass 326.221 g·mol−1
Heat of Formation 6.3 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 374.68 Å 3
Surface Area 306.82 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (e,3s)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
  • 1h-1,2,4-triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (s-(e))-
  • diniconazole (+)-form
CAS Number(s)
  • 83657-19-6
InChIKey FBOUIAKEJMZPQG-YGLIYXGISA-N
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DOI
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Elements H C N O Cl