5-[(3-Methyl-1-Piperazinyl)Sulfonyl]Isoquinoline

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Properties Simple | Detailed

Formula C14H17N3O2S
IUPAC Name 5-[(1r,3r)-3-methylpiperazin-1-yl]sulfonylisoquinoline
Molecular Mass 291.369 g·mol−1
Heat of Formation -117.6 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 333.13 Å 3
Surface Area 287.43 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey QGSCXAWTTISKLF-LLVKDONJSA-N
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