(2Z)-2-Imino-1,3,7-Trimethyl-1,2,3,7-Tetrahydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C8H12N5O
IUPAC Name 2-imino-1,3,7-trimethyl-purin-9-ium-5-id-6-one
Molecular Mass 194.214 g·mol−1
Heat of Formation 82.5 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 222.41 Å 3
Surface Area 211.75 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry Cs
InChIKey ZEVFIFMKLBYWMH-HJWRWDBZSA-N
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