Formula |
C11H14N6O5 |
IUPAC Name |
(e)-[4-cyano-2-[3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-yl]-5-isocyanato-4h-pyrazol-3-ylidene]cyanamide |
Molecular Mass |
310.266 g·mol−1 |
Heat of Formation |
686.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
12.69 ± 1.08 D |
Volume |
301.15 Å 3 |
Surface Area |
285.16 Å 2 |
HOMO Energy |
-9.74 ± 0.55 eV |
LUMO Energy |
-3.36 ± eV |
Point Group Symmetry |
Cs
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InChIKey |
SIZLYHVFGJCQJB-LZBJJOGQSA-N |
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Elements |
C
O
N
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