| Formula |
C29H33N7O2 |
| IUPAC Name |
3-[4-amino-1-[(3s)-1-propanoyl-3-piperidyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl]-n-(4-isopropylphenyl)benzamide |
| Molecular Mass |
511.618 g·mol−1 |
| Heat of Formation |
18.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.98 ± 1.08 D |
| Volume |
619.42 Å 3 |
| Surface Area |
533.28 Å 2 |
| HOMO Energy |
-8.74 ± 0.55 eV |
| LUMO Energy |
-0.85 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
OQUNLLPGZMGVNR-QHCPKHFHSA-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
|
| |
|
