2-(4-Aza-1-Azonia-2-Azanidacyclopenta-3,5-Dien-1-Yl)-4,5-Dimethyl-1,3,2Λ5-Dioxaphosphole 2-Oxide

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Properties Simple | Detailed

Formula C6H8N3O3P
IUPAC Name 4,5-dimethyl-2-(1,2,4-triazol-1-yl)-1,3,2λ5-dioxaphosphole 2-oxide
Molecular Mass 201.120 g·mol−1
Heat of Formation -552.2 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 215.24 Å 3
Surface Area 205.36 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry Cs
Synonyms
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InChIKey CINIYJSLVGSIKT-UHFFFAOYSA-N
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