Formula |
C22H20N4O2 |
IUPAC Name |
5-[7-ethyl-6-[(3s)-tetrahydrofuran-3-yl]oxy-4h-indeno[1,2-c]pyrazol-2-ium-3-ylium-3-yl]pyridine-2-carbonitrile |
Molecular Mass |
372.420 g·mol−1 |
Heat of Formation |
232.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.59 ± 1.08 D |
Volume |
442.56 Å 3 |
Surface Area |
392.15 Å 2 |
HOMO Energy |
-8.65 ± 0.55 eV |
LUMO Energy |
-1.86 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OAWMFMUHXBYJGX-KRWDZBQOSA-N |
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Elements |
H
C
O
N
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