(2E)-3-[(4R,5S)-4-Amino-1,3,4,5-Tetrahydrobenzo[Cd]Indol-5-Yl]-2-Methyl-2-Propen-1-Ol

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Properties Simple | Detailed

Formula C15H18N2O
IUPAC Name (e)-3-[(4r,5s)-4-amino-4,5-dihydro-3h-benzo[cd]indol-1-ium-5-yl]-2-methyl-prop-2-en-1-ol
Molecular Mass 242.316 g·mol−1
Heat of Formation -4.5 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 304.45 Å 3
Surface Area 268.2 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2-propen-1-ol, 3-(4-amino-1,3,4,5-tetrahydrobenz(cd)indol-2-yl)-2-methyl-, (4r-(4alpha,5alpha(e)))-
  • 2-propen-1-ol, 3-(4-amino-1,3,4,5-tetrahydrobenz(cd)indol-5-yl)-2-methyl-, (4r-(4alpha,5alpha(e)))-
  • demethylchanoclavine
CAS Number(s)
  • 51704-40-6
InChIKey QPYLOULWBAJLGK-ZUYHJEFZSA-N
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