N-Methylanhalonine

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Properties Simple | Detailed

Formula C13H17NO3
IUPAC Name (8r,9s)-4-methoxy-8,9-dimethyl-7,9-dihydro-6h-[1,3]dioxolo[4,5-h]isoquinoline
Molecular Mass 235.279 g·mol−1
Heat of Formation -349.5 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 277.41 Å 3
Surface Area 252.13 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (9s)-4-methoxy-8,9-dimethyl-7,9-dihydro-6h-[1,3]dioxolo[4,5-h]isoquinoline
  • lophophorine
CAS Number(s)
  • 17627-78-0
InChIKey PNFBXEKHLUDPIM-QMMMGPOBSA-N
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