5-[(4-Aminobutyl)Amino]-1,2-Dimethyl-3-[(4-Nitrophenoxy)Methyl]-1H-Indole-4,7-Dione

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Properties Simple | Detailed

Formula C21H24N4O5
IUPAC Name 5-(4-aminobutylamino)-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indol-1-ium-2-ylium-4,7-dione
Molecular Mass 412.439 g·mol−1
Heat of Formation -280.7 ± 16.7 kJ·mol−1
Dipole Moment 6.77 ± 1.08 D
Volume 480.19 Å 3
Surface Area 436.51 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(4-aminobutylamino)-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-quinone
InChIKey VZTIVOFFCAESGN-UHFFFAOYSA-N
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