4-Chloro-6-(4-Piperazin-1-Yl-1H-Pyrazol-5-Yl)Benzene-1,3-Diol

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Properties Simple | Detailed

Formula C13H15ClN4O2
IUPAC Name 4-chloro-6-(4-piperazin-1-ylpyrazol-3-yl)benzene-1,3-diol
Molecular Mass 294.737 g·mol−1
Heat of Formation -82.4 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 327.54 Å 3
Surface Area 286.31 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
InChIKey RFPHEBUOQYYPDO-UHFFFAOYSA-N
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Elements H C N O Cl