Cis-3,5-Bis(4-Chlorophenyl)-3-((1H-Imidazol-1-Yl)-Methyl)-2-Methylisoxazolidine

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Properties Simple | Detailed

Formula C20H19Cl2N3O
IUPAC Name (3s,5s)-3,5-bis(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-isoxazolidine
Molecular Mass 388.290 g·mol−1
Heat of Formation 222.5 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 446.99 Å 3
Surface Area 363.81 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s)-3,5-bis(4-chlorophenyl)-3-(1-imidazolylmethyl)-2-methylisoxazolidine
  • (3s,5s)-3,5-bis(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
  • (3s,5s)-3,5-bis(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-isoxazolidine
  • 3,5-bis-(4-chloro-phenyl)-3-imidazol-1-ylmethyl-2-methyl-isoxazolidine
InChIKey JQNRGBCRWDMIDS-VQTJNVASSA-N
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Elements H C N O Cl