(1S,2R,7R,9S)-6-Acetyl-12-Methyl-4-Oxa-12-Azatricyclo[7.2.1.0~2,7~]Dodec-5-En-10-One
Properties
Property | Value |
---|---|
Formula | C13H17NO3 |
IUPAC Name | (1s,2r,7r,9s)-6-acetyl-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-10-one |
Molecular Mass | 235.279 g·mol−1 |
Heat of Formation | -434.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.87 ± 1.08 D |
Volume | 282.61 Å 3 |
Surface Area | 244.63 Å 2 |
HOMO Energy | -9.31 ± 0.55 eV |
LUMO Energy | 3.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | JXSYWKVPVCKAFM-IELRGYKMSA-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 |