(2R)-2-Cyano-3-[3-(1H-Pyrrolo[2,3-B]Pyridin-3-Ylcarbonyl)Phenyl]Propanamide
Properties
Property | Value |
---|---|
Formula | C18H14N4O2 |
IUPAC Name | (2r)-2-cyano-3-[3-(pyrrolo[2,3-b]pyridin-1-ium-3-carbonyl)phenyl]propanamide |
Molecular Mass | 318.329 g·mol−1 |
Heat of Formation | 90.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.94 ± 1.08 D |
Volume | 370.14 Å 3 |
Surface Area | 331.07 Å 2 |
HOMO Energy | -9.34 ± 0.55 eV |
LUMO Energy | 2.17 ± eV |
Point Group Symmetry | C1 |
InChIKey | UQJDULLQUOPWND-CYBMUJFWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
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Elements | H C O N |