Formula |
C23H21F3N8O2 |
IUPAC Name |
n-[(3-nitrophenyl)methyl]-6-[2-(4-piperidyl)-3h-pyrazol-2-ium-3-ylium-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine |
Molecular Mass |
498.460 g·mol−1 |
Heat of Formation |
-90.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.81 ± 1.08 D |
Volume |
538.78 Å 3 |
Surface Area |
478.92 Å 2 |
HOMO Energy |
-9.12 ± 0.55 eV |
LUMO Energy |
1.32 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OIYLUARXJZNDPY-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
F
O
N
|
|
|