5-(4-Aminobutylamino)-1,2-Dimethyl-3-[(4-Nitrophenoxy)Methyl]Indol-1-Ium-7A-Ylium-4,7-Dione

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Formula C21H24N4O5
IUPAC Name 5-(4-aminobutylamino)-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indol-1-ium-7a-ylium-4,7-dione
Molecular Mass 412.439 g·mol−1
Heat of Formation -280.8 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 480.38 Å 3
Surface Area 436.18 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey RQWTWZXUNFMZRD-UHFFFAOYSA-N
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