3-[(1S)-1-(2,6-Dichloro-3-Fluorophenyl)Ethoxy]-5-[1-(4-Piperidinyl)-1H-Pyrazol-4-Yl]-2-Pyridinamine

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Properties Simple | Detailed

Formula C21H23Cl2FN5O
IUPAC Name 3-[(1s)-1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-5-[1-(4-piperidyl)pyrazol-1-ium-2-id-4-yl]pyridin-1-ium-5-id-2-amine
Molecular Mass 451.345 g·mol−1
Heat of Formation -89.1 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 498.87 Å 3
Surface Area 388.3 Å 2
HOMO Energy -8.01 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
InChIKey KTEIFNKAUNYNJU-LBPRGKRZSA-N
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Elements C F H Cl O N