(8β)-2-Butyl-6-Methyl-9,10-Didehydroergoline-8-Carboxamide
Properties
Property | Value |
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Formula | C20H25N3O |
IUPAC Name | (6ar,7r,9r)-5-butyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-5-ylium-9-carboxamide |
Molecular Mass | 323.432 g·mol−1 |
Heat of Formation | -33.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.83 ± 1.08 D |
Volume | 407.01 Å 3 |
Surface Area | 356.66 Å 2 |
HOMO Energy | -8.14 ± 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 | WPUBLQOZLSDKAF-KZULUSFZSA-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 |