2,4-Diamino-5-(3-(3-(2-(Acetyloxy)Ethyl)-3-Benzyltriazen-1-Yl)-4-Chlorophenyl)-6-Ethylpyrimidine

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Formula C23H26ClN7O2
IUPAC Name 2-[benzyl-[(e)-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidine-1,3-diium-5-id-5-yl)phenyl]azo]amino]ethyl acetate
Molecular Mass 467.951 g·mol−1
Heat of Formation 43.7 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 543.54 Å 3
Surface Area 452.56 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
InChIKey QKBISNUGIKKCIM-QVIHXGFCSA-N
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Elements H C N O Cl