Formula |
C20H17N7O2 |
IUPAC Name |
3-[[4-[1-[2-(4-aminophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]amino]propanenitrile |
Molecular Mass |
387.395 g·mol−1 |
Heat of Formation |
489.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.50 ± 1.08 D |
Volume |
447.31 Å 3 |
Surface Area |
397.93 Å 2 |
HOMO Energy |
-8.96 ± 0.55 eV |
LUMO Energy |
0.93 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LSFOZQQVTWFMNS-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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