9-(1H-Purin-6-Yl)-2,9-Diazaspiro[5.5]Undecane

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Properties Simple | Detailed

Formula C14H20N6
IUPAC Name 9-purin-9-ium-6-yl-2,9-diazaspiro[5.5]undecane
Molecular Mass 272.349 g·mol−1
Heat of Formation 239.4 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 325.46 Å 3
Surface Area 281.37 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey ZXMGQAIKNOIWHC-UHFFFAOYSA-N
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Elements H C N