18-Hydroxy-3,13,21-Triazapentacyclo[11.8.0.02,10.04,9.015,20]Henicosa-1,3,5,7,9,15(20),16,18-Octaen-14-One
Properties
Property | Value |
---|---|
Formula | C18H13N3O2 |
IUPAC Name | 18-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15(20),16,18-octaen-14-one |
Molecular Mass | 303.315 g·mol−1 |
Heat of Formation | 82.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.79 ± 1.08 D |
Volume | 334.23 Å 3 |
Surface Area | 304.11 Å 2 |
HOMO Energy | -8.06 ± 0.55 eV |
LUMO Energy | -1.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | DKAYOHUDZJHBMU-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |