4-Carboxy-3-(2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-Pyrido[3,2,1-Ij]Quinolizino[1',9':6,7,8]Chromeno[2,3-F]Quinolin-4-Ium-9-Yl)Benzoate
Properties
Property | Value |
---|---|
Formula | C33H30N2O5 |
IUPAC Name | 4-carboxy-3-(2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzoate |
Molecular Mass | 534.602 g·mol−1 |
Heat of Formation | -457.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 26.57 ± 1.08 D |
Volume | 603.98 Å 3 |
Surface Area | 494.21 Å 2 |
HOMO Energy | -7.57 ± 0.55 eV |
LUMO Energy | -2.28 ± eV |
Point Group Symmetry | C1 |
InChIKey | WQZIDRAQTRIQDX-UHFFFAOYSA-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 |