Formula |
C25H26F3N7O |
IUPAC Name |
1-[3-[(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea |
Molecular Mass |
497.515 g·mol−1 |
Heat of Formation |
-410.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.90 ± 1.08 D |
Volume |
552.87 Å 3 |
Surface Area |
481.85 Å 2 |
HOMO Energy |
-8.92 ± 0.55 eV |
LUMO Energy |
2.29 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HMEHXARNCXBPMB-UHFFFAOYSA-O |
QR Code |
Generate QR Code |
Links |
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
F
O
N
|
|
|