2-(1H-Benzimidazol-1-Ylmethyl)-4H-Pyrido[1,2-A]Pyrimidin-4-One

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Formula C16H16N4O+
IUPAC Name 2-(4,5-dihydrobenzimidazol-1-ium-7a-ylium-4,5-diid-1-ylmethyl)-6,7,8,9-tetrahydro-3h-pyrido[1,2-a]pyrimidin-5-ium-3,6,7,8,9-pentaid-4-one
Molecular Mass 280.324 g·mol−1
Heat of Formation 277.6 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 320.61 Å 3
Surface Area 284.95 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
InChIKey BCWFSHAZZLFCIE-UHFFFAOYSA-N
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