2-Methyl-2-Propanyl 6-{[2-Chloro-4-(Dimethylcarbamoyl)Phenyl]Amino}-2-(1-Methyl-1H-Pyrazol-4-Yl)-1H-Pyrrolo[3,2-C]Pyridine-1-Carboxylate

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Properties Simple | Detailed

Formula C25H27ClN6O3
IUPAC Name tert-butyl 6-[2-chloro-4-(dimethylcarbamoyl)anilino]-2-(1-methyl-3h-pyrazol-1-ium-3-ylium-4-yl)pyrrolo[3,2-c]pyridin-1-ium-2-ylium-1-carboxylate
Molecular Mass 494.973 g·mol−1
Heat of Formation -126.1 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 572.28 Å 3
Surface Area 490.87 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey KYBALIQJYSWGLI-UHFFFAOYSA-N
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Elements H C Cl O N