3-(7-Bromo-1,3-Benzodioxol-5-Yl)-1-Methyl-1H-Pyrazol-5-Amine

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Properties Simple | Detailed

Formula C11H10BrN3O2
IUPAC Name 5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-pyrazol-3-amine
Molecular Mass 296.120 g·mol−1
Heat of Formation 69.1 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 274.85 Å 3
Surface Area 262.8 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
InChIKey CYGCZVZRSOGLAB-UHFFFAOYSA-N
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Elements H C Br O N