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-quinolin-1-ium-3-ylidene)pyrazolidin-1-yl]-4-oxo-butanoic acid
Molecular Mass 558.423 g·mol−1
Heat of Formation -171.4 ± 16.7 kJ·mol−1
Dipole Moment 7.71 ± 1.08 D
Volume 590.91 Å 3
Surface Area 479.58 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -2.28 ± eV
Point Group Symmetry C1
InChIKey CADIBCWPGCNUBD-ZIQTWHDPSA-N
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Elements H C O Br N