1-[2-Hydroxy-1-(2-Hydroxyethoxy)Ethyl]-1H-1,2,4-Triazole-5-Carboxamide

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Properties Simple | Detailed

Formula C7H12N4O4
IUPAC Name 2-[(1r)-2-hydroxy-1-(2-hydroxyethoxy)ethyl]-4-aza-2-azonia-1-azanidacyclopenta-2,4-diene-3-carboxamide
Molecular Mass 216.195 g·mol−1
Heat of Formation -533.0 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 237.8 Å 3
Surface Area 220.04 Å 2
HOMO Energy -10.48 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey QLWQRQDPDSUODR-RXMQYKEDSA-N
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