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

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Properties Simple | Detailed

Formula C16H20N2O4
IUPAC Name (6r,6as,8e)-8-ethylidene-3-hydroxy-2,6-dimethoxy-6,6a,7,9-tetrahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular Mass 304.341 g·mol−1
Heat of Formation -530.8 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 360.09 Å 3
Surface Area 314.75 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
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InChIKey UQVNRKBFAXNOGA-LWTNMJDUSA-N
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