[2-Chloro-5-(Hydroxymethyl)Phenyl]{5-[1-(4-Piperidinyl)-1H-Pyrazol-4-Yl]-1H-Pyrrolo[2,3-B]Pyridin-3-Yl}Methanone

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Properties Simple | Detailed

Formula C23H22ClN5O2
IUPAC Name [2-chloro-5-(hydroxymethyl)phenyl]-[5-[2-(4-piperidyl)-3h-pyrazol-2-ium-3-ylium-4-yl]-6h-pyrrolo[2,3-b]pyridin-1-ium-6-ylium-3-yl]methanone
Molecular Mass 435.906 g·mol−1
Heat of Formation 116.6 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 490.33 Å 3
Surface Area 428.19 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey RHZPBNHUNKAZOC-UHFFFAOYSA-N
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Elements H C N O Cl