Ergine

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Properties Simple | Detailed

Formula C16H17N3O
IUPAC Name (6ar,7r,9r)-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-9-carboxamide
Molecular Mass 267.326 g·mol−1
Heat of Formation 74.9 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 315.65 Å 3
Surface Area 282.51 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • pdsp2_001113
CAS Number(s)
  • 478-94-4
InChIKey GENAHGKEFJLNJB-QMTHXVAHSA-N
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