1H-1,2,4-Triazole, 1-((2-(4-Chlorophenyl)-3-Phenyloxiranyl)Methyl)-

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Formula C17H14ClN3O
IUPAC Name 1-[[(2r,3r)-2-(4-chlorophenyl)-3-phenyl-oxiran-2-yl]methyl]-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene
Molecular Mass 311.766 g·mol−1
Heat of Formation 331.9 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 370.18 Å 3
Surface Area 302.22 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
InChIKey YGLGKNIVFJHGIW-SJORKVTESA-N
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Elements H C N O Cl