N-{3-Fluoro-4-[(7-Methoxy-4-Quinolinyl)Oxy]Phenyl}-1-[(2R)-2-Hydroxypropyl]-5-Methyl-3-Oxo-2-Phenyl-2,3-Dihydro-1H-Pyrazole-4-Carboxamide

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Properties Simple | Detailed

Formula C30H27FN4O5
IUPAC Name n-[3-fluoro-4-[(7-methoxy-4-quinolyl)oxy]phenyl]-1-[(2r)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-pyrazole-1,2-diium-4-carboxamide
Molecular Mass 542.558 g·mol−1
Heat of Formation -510.2 ± 16.7 kJ·mol−1
Dipole Moment 10.45 ± 1.08 D
Volume 612.97 Å 3
Surface Area 527.26 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey OHLUERTUZNIQEE-GOSISDBHSA-N
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