1-[(1R,2R)-2-Hydroxy-3,3-Dimethyl-6-Nitro-2,3-Dihydro-1H-Inden-1-Yl]-2(1H)-Pyridinone
Properties
Property | Value |
---|---|
Formula | C16H16N2O4 |
IUPAC Name | 1-[(1s,2s)-2-hydroxy-3,3-dimethyl-6-nitro-indan-1-yl]-3h-pyridin-1-ium-3-id-2-one |
Molecular Mass | 300.309 g·mol−1 |
Heat of Formation | -231.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.48 ± 1.08 D |
Volume | 346.61 Å 3 |
Surface Area | 296.63 Å 2 |
HOMO Energy | -9.15 ± 0.55 eV |
LUMO Energy | 1.64 ± eV |
Point Group Symmetry | C1 |
InChIKey | XSUATPWEEHNFMA-LSDHHAIUSA-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 |