1-(3-{4-Chloro-3-[(4-Chlorophenyl)Ethynyl]Phenyl}-1-[3-(4-Morpholinyl)Propyl]-1,4,6,7-Tetrahydro-5H-Pyrazolo[4,3-C]Pyridin-5-Yl)-2-Hydroxyethanone

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Properties Simple | Detailed

Formula C29H30Cl2N4O3
IUPAC Name 1-[3-[4-chloro-3-[2-(4-chlorophenyl)ethynyl]phenyl]-1-(3-morpholinopropyl)-6,7-dihydro-4h-pyrazolo[4,3-c]pyridin-1-ium-7a-ylium-5-yl]-2-hydroxy-ethanone
Molecular Mass 553.479 g·mol−1
Heat of Formation 2.5 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 636.41 Å 3
Surface Area 558.26 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey IWTCFPKHJADUJG-UHFFFAOYSA-N
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