(13R,16S)-12,12,16-Trimethyl-10,19,22-Triazahexacyclo[13.5.2.0~1,13~.0~3,11~.0~4,9~.0~15,19~]Docosa-3(11),4,6,8-Tetraen-21-One
Properties
Property | Value |
---|---|
Formula | C22H27N3O |
IUPAC Name | (13r,16s)-12,12,16-trimethyl-10,19,22-triazahexacyclo[13.5.2.0 1,13 .0 3,11 .0 4,9 .0 15,19 ]docosa-3(11),4,6,8-tetraen-21-one |
Molecular Mass | 349.469 g·mol−1 |
Heat of Formation | -68.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.92 ± 1.08 D |
Volume | 424.73 Å 3 |
Surface Area | 342.94 Å 2 |
HOMO Energy | -8.14 ± 0.55 eV |
LUMO Energy | 0.17 ± eV |
Point Group Symmetry | C1 |
InChIKey | IEJLMMJWGODTGM-YLBNWIERSA-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 |