Iso-Neopine

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Formula C18H21NO3
IUPAC Name (3s,4r,7r,7ar,12bs)-9-methoxy-3-methyl-2,4,6,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
Molecular Mass 299.364 g·mol−1
Heat of Formation -320.6 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 351.3 Å 3
Surface Area 291.11 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
InChIKey NNDKZTBFZTWKLA-OSLDLMBLSA-N
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