5-[4-[Benzyl(Ethyl)Amino]-3-Nitro-Phenyl]-6-Ethyl-Pyrimidine-1,3-Diium-5-Ide-2,4-Diamine

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Formula C21H25N6O2
IUPAC Name 5-[4-[benzyl(ethyl)amino]-3-nitro-phenyl]-6-ethyl-pyrimidine-1,3-diium-5-ide-2,4-diamine
Molecular Mass 393.462 g·mol−1
Heat of Formation 217.6 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 478.39 Å 3
Surface Area 384.84 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey YWMMWMRKYBPSCW-UHFFFAOYSA-N
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