(5S,11As)-5-(3,4,5-Trimethoxyphenyl)-5,6,11,11A-Tetrahydro-1H-[1,3]Oxazolo[3',4':1,6]Pyrido[3,4-B]Indol-3-One
Properties
Property | Value |
---|---|
Formula | C22H22N2O5 |
IUPAC Name | (5s,11as)-5-(3,4,5-trimethoxyphenyl)-5,6,11,11a-tetrahydro-1h-[1,3]oxazolo[3',4':1,6]pyrido[3,4-b]indol-3-one |
Molecular Mass | 394.420 g·mol−1 |
Heat of Formation | -491.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.65 ± 1.08 D |
Volume | 447.31 Å 3 |
Surface Area | 378.3 Å 2 |
HOMO Energy | -8.58 ± 0.55 eV |
LUMO Energy | -0.28 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | SCLLIEKCYQJGGW-RBZFPXEDSA-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 |