1-{5-Oxo-3-[1-(4-Piperidinyl)-1H-Pyrazol-4-Yl]-5H-Benzo[4,5]Cyclohepta[1,2-B]Pyridin-7-Yl}-N-(2-Pyridinylmethyl)Methanesulfonamide

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Properties Simple | Detailed

Formula C29H28N6O3S
IUPAC Name 1-[11-oxo-2-[1-(4-piperidyl)-3h-pyrazol-1-ium-3-ylium-4-yl]benzo[1,2]cyclohepta[2,4-b]pyridin-9-yl]-n-(2-pyridylmethyl)methanesulfonamide
Molecular Mass 540.636 g·mol−1
Heat of Formation 147.2 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 620.09 Å 3
Surface Area 533.5 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
InChIKey GVFOWLBJJRVCFI-UHFFFAOYSA-N
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