| Formula |
C27H17N5O4 |
| IUPAC Name |
3-[2-[(s)-(4-cyanophenyl)-hydroxy-(3-methylimidazol-1-ium-4-id-4-yl)methyl]-5-nitro-benzofuran-7-yl]benzonitrile |
| Molecular Mass |
475.455 g·mol−1 |
| Heat of Formation |
429.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.06 ± 1.08 D |
| Volume |
540.71 Å 3 |
| Surface Area |
430.08 Å 2 |
| HOMO Energy |
-9.84 ± 0.55 eV |
| LUMO Energy |
0.25 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
NYEPLLLECMESPU-MHZLTWQESA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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