(S)-5,6,6A,7-Tetrahydro-2-Methoxy-6-Methyl-4H-Benzo[De][1,3]Benzodioxolo[5,6-G]Quinolin-1-Ol

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Properties Simple | Detailed

Formula C19H19NO4
IUPAC Name domesticine
Molecular Mass 325.358 g·mol−1
Heat of Formation -403.1 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 366.35 Å 3
Surface Area 320.87 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 476-71-1
InChIKey ZMNSHBTYBQNBPV-ZDUSSCGKSA-N
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