5-Bromo-6-Isopropyl-2-{5-[(4-Methyl-1-Piperazinyl)Acetyl]-2-Propoxyphenyl}-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C23H31BrN4O3+
IUPAC Name 5-bromo-6-isopropyl-2-[5-[2-(4-methylpiperazin-1-yl)acetyl]-2-propoxy-phenyl]pyrimidin-3-ium-5-id-4-one
Molecular Mass 491.421 g·mol−1
Heat of Formation -367.0 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 552.45 Å 3
Surface Area 417.09 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
InChIKey WTKMCYZVMOTXKM-UHFFFAOYSA-N
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Elements H C Br O N