4-[5-(4-Bromophenyl)-3-(6-Methyl-2-Oxo-4-Phenyl-3(2H)-Quinolinylidene)-1-Pyrazolidinyl]-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C29H24BrN3O4
IUPAC Name 4-[(3e,5r)-5-(4-bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-3-quinolylidene)pyrazolidin-1-yl]-4-oxo-butanoic acid
Molecular Mass 558.423 g·mol−1
Heat of Formation 3436.6 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 537.62 Å 3
Surface Area 457.69 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -2.32 ± eV
Point Group Symmetry C1
InChIKey CADIBCWPGCNUBD-SHMWJOFESA-N
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Elements C O Br N