2-(Dimethylamino)-3,7-Dihydropurine-1,9-Diium-5-Id-6-One

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Formula C7H16N5O+
IUPAC Name (2s,4r,5s)-2-(dimethylamino)-1,2,3,4,5,7,8,9-octahydropurin-3-ium-6-one
Molecular Mass 186.235 g·mol−1
Heat of Formation 99.3 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 202.15 Å 3
Surface Area 199.81 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey DDPRHXILCVNLSO-UHFFFAOYSA-O
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