(2E)-N-Allyl-4-{[3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1H-Indazol-6-Yl]Oxy}-N-Methyl-2-Buten-1-Amine

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Properties Simple | Detailed

Formula C22H23BrFN3O
IUPAC Name (e)-n-allyl-4-[[3-(4-bromophenyl)-5-fluoro-1-methyl-7h-indazol-1-ium-7-id-6-yl]oxy]-n-methyl-but-2-en-1-amine
Molecular Mass 444.340 g·mol−1
Heat of Formation 163.3 ± 16.7 kJ·mol−1
Dipole Moment 7.40 ± 1.08 D
Volume 488.01 Å 3
Surface Area 443.27 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
InChIKey YDWPQZUWZDRRSE-AATRIKPKSA-N
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Elements C F H O N Br