(16As)-13-[(1S)-1-Hydroxypropyl]-1,4,5,6,7,8,9,10,11,13,14,16A-Dodecahydropyrido[2,1-D][1,5,9]Triazacyclotridecin-2(3H)-One
Properties
Property | Value |
---|---|
Formula | C17H31N3O2 |
IUPAC Name | (1r,13s,17r)-17-[(1s)-1-hydroxypropyl]-1,5,10-triazabicyclo[11.4.0]heptadec-14-en-11-one |
Molecular Mass | 309.447 g·mol−1 |
Heat of Formation | -435.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.50 ± 1.08 D |
Volume | 406.58 Å 3 |
Surface Area | 307.25 Å 2 |
HOMO Energy | -8.48 ± 0.55 eV |
LUMO Energy | 0.87 ± eV |
Point Group Symmetry | C1 |
InChIKey | YBZUGUWOQLUNKD-OAGGEKHMSA-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 |