(2S)-2-Amino-3-[4-Hydroxy-3-(4H-Pyrazol-1-Ium-4-Id-1-Yl)Phenyl]Propanoic Acid

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Formula C12H13N3O3
IUPAC Name (2s)-2-amino-3-[4-hydroxy-3-(4h-pyrazol-1-ium-4-id-1-yl)phenyl]propanoic acid
Molecular Mass 247.250 g·mol−1
Heat of Formation -251.8 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 287.0 Å 3
Surface Area 265.72 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey OYFZMNFXVOYLDW-VIFPVBQESA-N
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