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 |
31.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.95 ± 1.08 D |
Volume |
615.79 Å 3 |
Surface Area |
533.77 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
-1.18 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VHBGVUGJOHEQMH-QHCPKHFHSA-O |
QR Code |
Generate QR Code |
Links |
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|