5-[4-[Benzyl(Ethyl)Amino]-3-Nitro-Phenyl]-6-Ethyl-Pyrimidine-1,3-Diium-5-Ide-2,4-Diamine
Properties
Property | Value |
---|---|
Formula | C21H24N6O2 |
IUPAC Name | 5-[4-[benzyl(ethyl)amino]-3-nitro-phenyl]-6-ethyl-pyrimidine-1,3-diium-5-ide-2,4-diamine |
Molecular Mass | 392.454 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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Elements | H C O N |