5-(5-Chloro-2,4-Dihydroxyphenyl)-N-Ethyl-4-Piperazin-1-Yl-1H-Pyrazole-3-Carboxamide

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Properties Simple | Detailed

Formula C16H20ClN5O3
IUPAC Name 5-(5-chloro-2,4-dihydroxy-phenyl)-n-ethyl-4-piperazin-1-yl-pyrazol-1-ium-3-ylium-3-carboxamide
Molecular Mass 365.815 g·mol−1
Heat of Formation -289.3 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 409.51 Å 3
Surface Area 355.85 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
InChIKey SORAKBHHTGVZCS-UHFFFAOYSA-N
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