(2E)-3-[(11R,11As)-11-Hydroxy-9-Methoxy-5-Oxo-5,10,11,11A-Tetrahydro-1H-Pyrrolo[2,1-C][1,4]Benzodiazepin-2-Yl]-N,N-Dimethylacrylamide

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Properties Simple | Detailed

Formula C18H21N3O4
IUPAC Name (e)-3-[(6r,6as)-6-hydroxy-4-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-n,n-dimethyl-prop-2-enamide
Molecular Mass 343.377 g·mol−1
Heat of Formation -442.3 ± 16.7 kJ·mol−1
Dipole Moment 8.52 ± 1.08 D
Volume 401.99 Å 3
Surface Area 357.07 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey OQMYRVPMCIOFHL-UDBCLFQLSA-N
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