{3-[(2R)-1-Phenyl-2-Propanyl]-1,2,3-Oxadiazol-3-Ium-5-Yl}Azanide

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Properties Simple | Detailed

Formula C11H13N3O
IUPAC Name 3-[(1r)-1-methyl-2-phenyl-ethyl]-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine
Molecular Mass 203.240 g·mol−1
Heat of Formation 271.6 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 252.32 Å 3
Surface Area 235.74 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
InChIKey HFLCEELTJROKMJ-NPAAXYOMSA-N
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