(2S,11S,11As)-2-Hydroxy-11-Methoxy-1,2,3,10,11,11A-Hexahydro-5H-Pyrrolo[2,1-C][1,4]Benzodiazepin-5-One
Properties
Property | Value |
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Formula | C13H16N2O3 |
IUPAC Name | (6s,6as,8s)-8-hydroxy-6-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one |
Molecular Mass | 248.278 g·mol−1 |
Heat of Formation | -400.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.87 ± 1.08 D |
Volume | 287.14 Å 3 |
Surface Area | 256.42 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | -0.10 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | SSMFXCDUJJPFBJ-UWJYBYFXSA-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 |