4-(2-Amino-2-Oxoethyl)-3-Benzyl-1,2,3-Oxadiazol-3-Ium-5-Olate

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Properties Simple | Detailed

Formula C11H11N3O3
IUPAC Name 4-(2-amino-2-oxo-ethyl)-3-benzyl-oxadiazol-3-ium-5-olate
Molecular Mass 233.223 g·mol−1
Heat of Formation -116.0 ± 16.7 kJ·mol−1
Dipole Moment 7.87 ± 1.08 D
Volume 266.26 Å 3
Surface Area 231.67 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
InChIKey GPEINOHASDVYFS-UHFFFAOYSA-N
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