2-Amino-7-(Thiophen-1-Ium-3-Id-3-Ylmethyl)-1,6-Dihydropyrrolo[3,2-D]Pyrimidine-3,5-Diium-6-Ylium-4-One

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Formula C11H17N4OS+
IUPAC Name 2-amino-7-(thiophen-1-ium-3-id-3-ylmethyl)-1,6-dihydropyrrolo[3,2-d]pyrimidine-3,5-diium-6-ylium-4-one
Molecular Mass 253.344 g·mol−1
Heat of Formation 148.0 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 274.38 Å 3
Surface Area 246.23 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey ZPAFLWXKVILJAW-UHFFFAOYSA-O
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