(1E)-N-(1H-Purin-6-Yl)-3-Penten-1-Imine

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Properties Simple | Detailed

Formula C10H11N5
IUPAC Name (z)-n-purin-9-ium-5-ylium-6-ylpent-3-en-1-imine
Molecular Mass 201.228 g·mol−1
Heat of Formation 408.4 ± 16.7 kJ·mol−1
Dipole Moment 0.67 ± 1.08 D
Volume 243.53 Å 3
Surface Area 242.37 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
InChIKey ZZNYJUJEPRMVEH-OKBMCRLZSA-N
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Elements H C N