3-(1H-1,2,4-Triazol-3-Yl)Alanine

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Properties Simple | Detailed

Formula C5H8N4O2
IUPAC Name (2r)-2-amino-3-(4-aza-2-azonia-1-azanidacyclopenta-2,4-dien-3-yl)propanoic acid
Molecular Mass 156.143 g·mol−1
Heat of Formation -183.0 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 175.51 Å 3
Surface Area 176.31 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
InChIKey CAPORZWUTKSILW-GSVOUGTGSA-N
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