3-Phenyl-4-(4-Pyridinyl)-6-[4-(2-Pyrimidinyl)-1-Piperazinyl]Pyridazine

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Properties Simple | Detailed

Formula C23H21N7
IUPAC Name 3-phenyl-4-(4-pyridyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
Molecular Mass 395.460 g·mol−1
Heat of Formation 655.4 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 467.45 Å 3
Surface Area 400.51 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.35 ± eV
Point Group Symmetry C1
InChIKey OAXXZZBGZDNSGE-UHFFFAOYSA-N
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Elements H C N