5-Bromo-N~4~-(5-Methyl-1H-Pyrazol-3-Yl)-N~2~-[2-(3-Pyridinyl)Ethyl]-2,4-Pyrimidinediamine

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Formula C15H16BrN7
IUPAC Name 5-bromo-n4-(5-methylpyrazol-2-ium-5-ylium-3-yl)-n2-[2-(3-pyridyl)ethyl]pyrimidine-2,4-diamine
Molecular Mass 374.238 g·mol−1
Heat of Formation 445.2 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 382.85 Å 3
Surface Area 354.14 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey UOHJGIQDKUHCQV-UHFFFAOYSA-N
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Elements H C Br N