N-[(8α)-2,6-Dimethylergolin-8-Yl]-2,2-Dimethylpropanamide
Properties
Property | Value |
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Formula | C21H29N3O |
IUPAC Name | n-[(6ar,7r,9s,10ar)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-9-yl]-2,2-dimethyl-propanamide |
Molecular Mass | 339.474 g·mol−1 |
Heat of Formation | -152.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.05 ± 1.08 D |
Volume | 438.76 Å 3 |
Surface Area | 363.19 Å 2 |
HOMO Energy | -8.19 ± 0.55 eV |
LUMO Energy | 0.15 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | ZNMWUMGOSWLWOH-FDQGKXFDSA-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 |