(3Ar,5As,8S,10As)-10-Oxo-2,3,3A,5A,8,10A-Hexahydro-1H-Dipyrrolo[3,2-B:1',3'-E]Azepine-8-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C12H14N2O3 |
| IUPAC Name | (3ar,5as,8s,10as)-10-oxo-2,3,3a,5a,8,10a-hexahydro-1h-dipyrrolo[3,2-b:1',3'-e]azepine-8-carboxylic acid |
| Molecular Mass | 234.251 g·mol−1 |
| Heat of Formation | -344.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.26 ± 1.08 D |
| Volume | 268.33 Å 3 |
| Surface Area | 235.64 Å 2 |
| HOMO Energy | -9.16 ± 0.55 eV |
| LUMO Energy | -0.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RHEQTEWEWCAEQP-XKNYDFJKSA-N |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |