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

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Properties Simple | Detailed

Formula C9H9N5
IUPAC Name (e)-n-(7h-purin-6-yl)but-3-en-1-imine
Molecular Mass 187.201 g·mol−1
Heat of Formation 445.3 ± 16.7 kJ·mol−1
Dipole Moment 6.65 ± 1.08 D
Volume 224.71 Å 3
Surface Area 225.79 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.70 ± eV
Point Group Symmetry C1
InChIKey FOLHQMCIMSOVSL-ONNFQVAWSA-N
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Elements H C N