2-{3-[4-(4-Chlorophenyl)-1-Piperazinyl]Propyl}-4-Ethyl-5-(1-Hydroxyethyl)-2,4-Dihydro-3H-1,2,4-Triazol-3-One

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Formula C19H28ClN5O2
IUPAC Name 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethyl-5-[(1s)-1-hydroxyethyl]-1,2,4-triazole-2,4-diium-3-one
Molecular Mass 393.911 g·mol−1
Heat of Formation -186.9 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 486.53 Å 3
Surface Area 401.46 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
InChIKey SFUAKAHYRGEXLE-HNNXBMFYSA-N
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Elements H C N O Cl