3-(1,3-Benzodioxol-5-Yl)-1-Methyl-1H-Pyrazol-5-Amine

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Properties Simple | Detailed

Formula C11H11N3O2
IUPAC Name 5-(1,3-benzodioxol-5-yl)-2-methyl-4h-pyrazol-2-ium-4-id-3-amine
Molecular Mass 217.224 g·mol−1
Heat of Formation 46.9 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 245.43 Å 3
Surface Area 238.93 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
InChIKey AHTNDUQVQKCVGH-UHFFFAOYSA-N
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