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

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Formula C20H23N6O2
IUPAC Name 5-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-6-ethyl-pyrimidine-1,3-diium-5-ide-2,4-diamine
Molecular Mass 379.436 g·mol−1
Heat of Formation 240.3 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 452.01 Å 3
Surface Area 352.22 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey UCGMZLDPVBHQHF-UHFFFAOYSA-N
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