1-(2-Hydroxyethyl)-5-Nitro-3H-Pyrrol-1-Ium-3-Ide-2-Carboxamide

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Properties Simple | Detailed

Formula C7H9N3O4
IUPAC Name 1-(2-hydroxyethyl)-5-nitro-3h-pyrrol-1-ium-3-ide-2-carboxamide
Molecular Mass 199.164 g·mol−1
Heat of Formation -288.1 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 213.59 Å 3
Surface Area 202.02 Å 2
HOMO Energy -10.41 ± 0.55 eV
LUMO Energy 1.55 ± eV
Point Group Symmetry C1
InChIKey RULDNKIPGBXJTN-UHFFFAOYSA-N
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