12'-Hydroxy-2'-Isopropyl-3',6',18-Trioxoergotaman
Properties
| Property | Value |
|---|---|
| Formula | C28H33N5O5 |
| IUPAC Name | 12'-hydroxy-2'-isopropyl-3',6',18-trioxoergotaman |
| Molecular Mass | 519.592 g·mol−1 |
| Heat of Formation | -638.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.43 ± 1.08 D |
| Volume | 601.93 Å 3 |
| Surface Area | 482.79 Å 2 |
| HOMO Energy | -8.29 ± 0.55 eV |
| LUMO Energy | -0.29 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| CAS Number(s) |
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| InChIKey | XLMJRFCCCWFQRE-SJRQCXNHSA-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 |