(2S,3R)-1-(2-Phenanthrylcarbonyl)-2,3-Piperazinedicarboxylic Acid

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Properties Simple | Detailed

Formula C21H18N2O5
IUPAC Name (2s,3r)-1-(phenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid
Molecular Mass 378.378 g·mol−1
Heat of Formation -638.8 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 429.46 Å 3
Surface Area 364.17 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-1-(phenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid
  • (2s,3r)-1-[oxo-(2-phenanthryl)methyl]piperazine-2,3-dicarboxylic acid
  • (2s,3r)-1-phenanthren-2-ylcarbonylpiperazine-2,3-dicarboxylic acid
InChIKey IWWXIZOMXGOTPP-MSOLQXFVSA-N
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