(2R,3S)-1-(4-Chlorophenyl)-4,4-Dimethyl-2-(1H-1,2,4-Triazol-1-Yl)-3-Pentanol

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Properties Simple | Detailed

Formula C15H20ClN3O
IUPAC Name (2r,3s)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-ol
Molecular Mass 293.792 g·mol−1
Heat of Formation -41.6 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 360.19 Å 3
Surface Area 297.34 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CAS Number(s)
  • 98169-53-0
InChIKey RMOGWMIKYWRTKW-ZIAGYGMSSA-N
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Elements H C N O Cl