1-{[(2S,4R)-2-(2,4-Dichlorophenyl)-4-Propyl-1,3-Dioxolan-2-Yl]Methyl}-1H-1,2,4-Triazole

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Properties Simple | Detailed

Formula C15H17Cl2N3O2
IUPAC Name 1-[[(2s,4r)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene
Molecular Mass 342.220 g·mol−1
Heat of Formation -183.6 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 378.88 Å 3
Surface Area 311.5 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[(2s,4r)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
InChIKey STJLVHWMYQXCPB-IUODEOHRSA-N
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Elements H C N O Cl