(5S,11As)-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-5,6,11,11A-Tetrahydro-1H-[1,3]Oxazolo[3',4':1,6]Pyrido[3,4-B]Indol-3-One

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Formula C21H20N2O5
IUPAC Name (5s,11as)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,6,11,11a-tetrahydro-1h-[1,3]oxazolo[3',4':1,6]pyrido[3,4-b]indol-3-one
Molecular Mass 380.394 g·mol−1
Heat of Formation -521.8 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 428.44 Å 3
Surface Area 360.67 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey MIXLRUYCYZPSOQ-BUXKBTBVSA-N
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