(2E)-3-{5-[(2,4-Diamino-5-Pyrimidinyl)Methyl]-2,3-Dimethoxyphenyl}-1-[(1R)-1-(2-Methoxy-5-Pyrimidinyl)-2(1H)-Phthalazinyl]-2-Propen-1-One

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Properties Simple | Detailed

Formula C29H30N8O4
IUPAC Name (e)-3-[5-[(2,4-diaminopyrimidine-1,3-diium-5-id-5-yl)methyl]-2,3-dimethoxy-phenyl]-1-[(1s)-1-(2-methoxypyrimidine-1,3-diium-5-id-5-yl)-1h-phthalazin-2-yl]prop-2-en-1-one
Molecular Mass 554.600 g·mol−1
Heat of Formation 32.9 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 639.14 Å 3
Surface Area 539.6 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey DQACSDIFXYEAFK-DRUWVYPFSA-N
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