Methyl (2E)-2-Cyano-2-(1-Phenyltetrazole-1,4-Diium-5-Ylidene)Acetate

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Properties Simple | Detailed

Formula C11H9N5O2
IUPAC Name methyl (2z)-2-cyano-2-(1-phenyl-2h-tetrazol-5-ylidene)acetate
Molecular Mass 243.221 g·mol−1
Heat of Formation 212.9 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 272.83 Å 3
Surface Area 252.29 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
InChIKey DZNOXGGXKJGGRD-MDZDMXLPSA-N
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