3-[5-(2-Methyl-2H-Tetrazol-5-Yl)-3-Oxo-2,3-Dihydro-1,2-Oxazol-4-Yl]-L-Alanine

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Properties Simple | Detailed

Formula C8H10N6O4
IUPAC Name (2r)-2-amino-3-[3-hydroxy-5-(2-methyl-3,4-diaza-2-azonia-1-azanidacyclopenta-2,4-dien-5-yl)isoxazol-1-ium-2-id-4-yl]propanoic acid
Molecular Mass 254.203 g·mol−1
Heat of Formation -145.7 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 270.67 Å 3
Surface Area 254.95 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
InChIKey YXLQKZHKWIKJKC-SCSAIBSYSA-N
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