5-(Aminomethyl)-3H-1,2,4-Triazol-3-One

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Properties Simple | Detailed

Formula C3H4N4O
IUPAC Name 5-(aminomethyl)-1,2,4-triazol-3-one
Molecular Mass 112.090 g·mol−1
Heat of Formation 225.0 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 124.48 Å 3
Surface Area 137.96 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy -2.34 ± eV
Point Group Symmetry C1
Synonyms
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  • 1
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  • a
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InChIKey SQYUYXKRZCMRPS-UHFFFAOYSA-N
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