(3S,11S,11As)-8,11-Dihydroxy-3,7-Dimethoxy-1,2,3,10,11,11A-Hexahydro-5H-Pyrrolo[2,1-C][1,4]Benzodiazepin-5-One

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Formula C14H18N2O5
IUPAC Name (6r,6as,9s)-3,6-dihydroxy-2,9-dimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular Mass 294.303 g·mol−1
Heat of Formation -789.7 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 330.13 Å 3
Surface Area 289.92 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
InChIKey XKTHCVPMSHHKSI-TVYUQYBPSA-N
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