2-(5-Nitro-2H-Indol-1-Ium-2-Ylium-3-Yl)-2-Oxo-N-(P-Tolylmethyl)Acetamide

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Properties Simple | Detailed

Formula C18H15N3O4
IUPAC Name 2-(5-nitro-2h-indol-1-ium-2-ylium-3-yl)-2-oxo-n-(p-tolylmethyl)acetamide
Molecular Mass 337.329 g·mol−1
Heat of Formation -94.7 ± 16.7 kJ·mol−1
Dipole Moment 8.27 ± 1.08 D
Volume 383.74 Å 3
Surface Area 345.91 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
InChIKey PHSUPUHUXRIPQQ-UHFFFAOYSA-N
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