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
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