3-(3,5-Dioxo-1,2,4-Triazolidin-1-Yl)Alanine

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Properties Simple | Detailed

Formula C5H8N4O4
IUPAC Name (2s)-2-amino-3-(3,5-dioxo-1,2,4-triazolidin-1-yl)propanoic acid
Molecular Mass 188.141 g·mol−1
Heat of Formation -589.3 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 201.11 Å 3
Surface Area 192.44 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
InChIKey BQOGSUPGMSZTOL-REOHCLBHSA-N
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