(2E,11S,11Ar)-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 (6s,6ar,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 -532.3 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 359.87 Å 3
Surface Area 315.2 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
InChIKey UQVNRKBFAXNOGA-QCVKUENJSA-N
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