3,5-Diamino-6-Chloro-N-[(E)-N'-[(2-Methoxy-5-Nitro-Phenyl)Methyl]Carbamimidoyl]Pyrazine-1,4-Diium-2-Carboxamide

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Properties Simple | Detailed

Formula C14H15ClN8O4
IUPAC Name 3,5-diamino-6-chloro-n-[(e)-n'-[(2-methoxy-5-nitro-phenyl)methyl]carbamimidoyl]pyrazine-1,4-diium-2-carboxamide
Molecular Mass 394.773 g·mol−1
Heat of Formation -64.6 ± 16.7 kJ·mol−1
Dipole Moment 9.15 ± 1.08 D
Volume 419.1 Å 3
Surface Area 373.13 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey BZSNRVKZRQDHOF-UHFFFAOYSA-N
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Elements H C N O Cl