N-[2-(5-Methoxyindol-1-Ium-3-Yl)Ethyl]-2,4-Dinitro-Aniline

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Properties Simple | Detailed

Formula C17H16N4O5
IUPAC Name n-[2-(5-methoxyindol-1-ium-3-yl)ethyl]-2,4-dinitro-aniline
Molecular Mass 356.333 g·mol−1
Heat of Formation 0.0 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 399.09 Å 3
Surface Area 305.4 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
InChIKey WNKWNKGQQBNQQJ-UHFFFAOYSA-N
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