1-(5-Amino-1H-1,2,4-Triazol-3-Yl)Histidine

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Properties Simple | Detailed

Formula C8H11N7O2
IUPAC Name (2s)-2-amino-3-[3-(5-amino-4-aza-2-azonia-1-azanidacyclopenta-2,4-dien-3-yl)-4h-imidazol-3-ium-4-ylium-5-yl]propanoic acid
Molecular Mass 237.219 g·mol−1
Heat of Formation 37.3 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 267.0 Å 3
Surface Area 256.39 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey ATVJZXZPVGVZKA-YFKPBYRVSA-N
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