1,5-Dimethyl-2-Phenyl-4-[[[(2R,3R,4R,5S)-2,3,4-Trihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Methylamino]Methyl]Pyrazole-1,2-Diium-3-One

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Formula C18H25N3O6
IUPAC Name 1,5-dimethyl-2-phenyl-4-[[[(2r,3r,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methylamino]methyl]pyrazole-1,2-diium-3-one
Molecular Mass 379.408 g·mol−1
Heat of Formation -869.0 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 449.07 Å 3
Surface Area 387.37 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey IVQSHABPWKVXAU-LISAXSMJSA-N
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