(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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |