[(8β,10Xi)-2-Chloroergolin-8-Yl]Acetonitrile

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Formula C16H16ClN3
IUPAC Name 2-[(6ar,9s,10ar)-5-chloro-6a,7,8,9,10,10a-hexahydro-6h-indolo[4,3-fg]quinoline-4-ium-9-yl]acetonitrile
Molecular Mass 285.771 g·mol−1
Heat of Formation 228.2 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 336.59 Å 3
Surface Area 295.35 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
InChIKey QSRIXAFISHOVGA-GLXFQSAKSA-N
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Elements H C N Cl