2-Amino-5-[3-(1-Ethyl-1H-Pyrazol-5-Yl)-1H-Pyrrolo[2,3-B]Pyridin-5-Yl]-N,N-Dimethylbenzamide

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Properties Simple | Detailed

Formula C21H22N6O
IUPAC Name 2-amino-5-[3-(2-ethylpyrazol-2-ium-3-ylium-3-yl)-2h-pyrrolo[2,3-b]pyridin-1-ium-2-ylium-5-yl]-n,n-dimethyl-benzamide
Molecular Mass 374.439 g·mol−1
Heat of Formation 275.0 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 449.72 Å 3
Surface Area 390.05 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
InChIKey INAGORZAOFUKOZ-UHFFFAOYSA-N
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