Lysergic Acid

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Properties Simple | Detailed

Formula C16H16N2O2
IUPAC Name (6ar,7r,9r)-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-9-carboxylic acid
Molecular Mass 268.310 g·mol−1
Heat of Formation -113.7 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 311.55 Å 3
Surface Area 279.32 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • dea no. 7300
  • ergoline-8-carboxylic acid, 9,10-didehydro-6-methyl-, (8beta)-
  • lysergic acid (+-)
  • pdsp2_000050
CAS Number(s)
  • 23953-76-6
InChIKey ZAGRKAFMISFKIO-QMTHXVAHSA-N
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