N'-[4-(3,5-Dicyanophenyl)-2-Ethoxy-3H-Pyridin-1-Ium-3-Id-6-Yl]-N-[(E)-(5-Nitro-2-Furyl)Methyleneamino]Formamidine

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Properties Simple | Detailed

Formula C21H16N7O4
IUPAC Name n'-[4-(3,5-dicyanophenyl)-2-ethoxy-3h-pyridin-1-ium-3-id-6-yl]-n-[(e)-(5-nitro-2-furyl)methyleneamino]formamidine
Molecular Mass 430.396 g·mol−1
Heat of Formation 534.1 ± 16.7 kJ·mol−1
Dipole Moment 9.43 ± 1.08 D
Volume 490.1 Å 3
Surface Area 461.98 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
InChIKey XPFYJXDUJDLEGP-BRJLIKDPSA-N
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