2,6-Dioxo-5-[2-(9-Phenanthryl)Ethyl]-1,2,3,6-Tetrahydro-4-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C21H16N2O4
IUPAC Name 2,4-dioxo-5-[2-(9-phenanthryl)ethyl]-1h-pyrimidine-6-carboxylic acid
Molecular Mass 360.363 g·mol−1
Heat of Formation -471.5 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 405.41 Å 3
Surface Area 349.95 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
InChIKey ALPWFSMWGPSLIH-UHFFFAOYSA-N
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