3-Benzyldodecahydro-1H-Pyrrolo[1,2-A][1,4,7]Triazacyclotridecine-1,4,11-Trione
Properties
Property | Value |
---|---|
Formula | C20H27N3O3 |
IUPAC Name | (10s,13r)-10-benzyl-1,8,11-triazabicyclo[11.3.0]hexadecane-2,9,12-trione |
Molecular Mass | 357.447 g·mol−1 |
Heat of Formation | -548.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.91 ± 1.08 D |
Volume | 444.57 Å 3 |
Surface Area | 358.92 Å 2 |
HOMO Energy | -9.27 ± 0.55 eV |
LUMO Energy | 0.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | XLYAAACVHBCJDF-DLBZAZTESA-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 |