5-Methyl-2,4-Bis(2-Oxiranylmethyl)-2,4-Dihydro-3H-1,2,4-Triazol-3-One

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Formula C9H13N3O3
IUPAC Name 5-methyl-2,4-bis[[(2s)-oxiran-2-yl]methyl]-1,2,4-triazol-3-one
Molecular Mass 211.218 g·mol−1
Heat of Formation -115.1 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 251.37 Å 3
Surface Area 237.13 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
InChIKey JEACHLMQCZGTIH-YUMQZZPRSA-N
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