Jnj-7777120

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Properties Simple | Detailed

Formula C14H16ClN3O
IUPAC Name (5-chloroindol-1-ium-2-ylium-2-yl)-(4-methylpiperazin-1-yl)methanone
Molecular Mass 277.749 g·mol−1
Heat of Formation -1.1 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 323.18 Å 3
Surface Area 290.89 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (5-chloro-1h-indol-2-yl)-(4-methyl-1-piperazinyl)methanone
  • (5-chloro-1h-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
InChIKey HUQJRYMLJBBEDO-UHFFFAOYSA-N
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Elements H C N O Cl