1-(1-Nitro-2H-Pyrrol-1-Ium-2-Ylium-5-Yl)Ethanone

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Formula C6H6N2O3
IUPAC Name 1-(1-nitro-2h-pyrrol-1-ium-2-ylium-5-yl)ethanone
Molecular Mass 154.123 g·mol−1
Heat of Formation 5.0 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 170.1 Å 3
Surface Area 170.59 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
InChIKey JSAXHBRGMYUNCI-UHFFFAOYSA-N
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