Methyl (1R,9R,13E,15R)-13-Ethylidene-11-Formyl-18-Oxa-8,11-Diazapentacyclo[7.6.3.1~10,14~.0~1,9~.0~2,7~]Nonadeca-2,4,6-Triene-15-Carboxylate
Properties
Property | Value |
---|---|
Formula | C21H24N2O4 |
IUPAC Name | methyl (1r,10s,13e,14r,15r)-13-ethylidene-11-formyl-18-oxa-8,11-diazapentacyclo[7.6.3.1 10,14 .0 1,9 .0 2,7 ]nonadeca-2,4,6-triene-15-carboxylate |
Molecular Mass | 368.426 g·mol−1 |
Heat of Formation | -345.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.55 ± 1.08 D |
Volume | 428.19 Å 3 |
Surface Area | 336.72 Å 2 |
HOMO Energy | -8.76 ± 0.55 eV |
LUMO Energy | 2.97 ± eV |
Point Group Symmetry | C1 |
InChIKey | NKMFTVSMLXLPDB-PHTYPUGGSA-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 |