Formula |
C22H15F2N3O2 |
IUPAC Name |
[4-(difluoromethoxy)-3-[2-(2-pyridyl)ethynyl]phenyl]-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone |
Molecular Mass |
391.370 g·mol−1 |
Heat of Formation |
-98.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.80 ± 1.08 D |
Volume |
436.89 Å 3 |
Surface Area |
398.9 Å 2 |
HOMO Energy |
-9.29 ± 0.55 eV |
LUMO Energy |
-1.44 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JITMSIRHBAVREW-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
N
O
F
|
|
|