4-{(5R)-5-(4-Bromophenyl)-3-[(3R)-6-Methyl-2-Oxo-4-Phenyl-2,3-Dihydro-3-Quinolinyl]-4,5-Dihydro-1H-Pyrazol-1-Yl}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C29H24BrN3O4
IUPAC Name 4-[3-(4-bromophenyl)-5-(6-methyl-2-oxo-4-phenyl-3h-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid
Molecular Mass 558.423 g·mol−1
Heat of Formation -170.0 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 604.87 Å 3
Surface Area 475.09 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -2.14 ± eV
Point Group Symmetry C1
InChIKey ACUGSRUCGXYFTL-YWEHKCAJSA-N
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Elements H C O Br N