Methyl (13E)-13-Ethylidene-17-Hydroxy-16-Oxa-8,15-Diazahexacyclo[10.6.1.0~1,9~.0~2,7~.0~10,15~.0~14,18~]Nonadeca-2,4,6,8-Tetraene-19-Carboxylate
Properties
Property | Value |
---|---|
Formula | C20H20N2O4 |
IUPAC Name | methyl (13e)-13-ethylidene-17-hydroxy-16-oxa-8,15-diazahexacyclo[10.6.1.0 1,9 .0 2,7 .0 10,15 .0 14,18 ]nonadeca-2,4,6,8-tetraene-19-carboxylate |
Molecular Mass | 352.384 g·mol−1 |
Heat of Formation | -285.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.95 ± 1.08 D |
Volume | 394.67 Å 3 |
Surface Area | 316.77 Å 2 |
HOMO Energy | -9.41 ± 0.55 eV |
LUMO Energy | -0.60 ± eV |
Point Group Symmetry | C1 |
InChIKey | RTKCXWGAPBPXSB-QEFOBXTASA-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 |