6-Benzyl-5-Chloro[1,2,4]Triazolo[1,5-A]Pyrimidin-7(1H)-One

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Formula C12H10ClN4O
IUPAC Name 6-benzyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-3,4,8-triium-6-id-7-one
Molecular Mass 261.687 g·mol−1
Heat of Formation 210.8 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 280.43 Å 3
Surface Area 252.79 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey MQEBPOLOTAZMKF-UHFFFAOYSA-P
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Elements H C Cl O N