6-Methyl-9,10-Didehydroergoline

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Properties Simple | Detailed

Formula C15H16N2
IUPAC Name (6as,7s)-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium
Molecular Mass 224.301 g·mol−1
Heat of Formation 251.8 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 275.03 Å 3
Surface Area 247.75 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
InChIKey AHFZNJIKXMBLTJ-AWEZNQCLSA-N
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Elements H C N