6H-Benzo(G)-1,3-Benzodioxolo(5,6-A)Quinolizine-12-Methanol, 5,8,13,13A-Tetrahydro-10,11,14-Trimethoxy-, (S)-

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Formula C22H25NO6
IUPAC Name mecambridine
Molecular Mass 399.437 g·mol−1
Heat of Formation -716.6 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 455.72 Å 3
Surface Area 380.43 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 31098-60-9
  • 27341-28-2
InChIKey RJZGHQFMKACAHM-INIZCTEOSA-N
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