(2R)-1-(3H-Indol-1-Ium-3-Id-4-Yloxy)-3-[[2-Methyl-2-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Propyl]Amino]Propan-2-Ol

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Properties Simple | Detailed

Formula C21H24N6O5
IUPAC Name (2r)-1-(3h-indol-1-ium-3-id-4-yloxy)-3-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]propan-2-ol
Molecular Mass 440.452 g·mol−1
Heat of Formation 59.2 ± 16.7 kJ·mol−1
Dipole Moment 9.04 ± 1.08 D
Volume 508.51 Å 3
Surface Area 366.4 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -2.03 ± eV
Point Group Symmetry C1
InChIKey LLFYHIOLKPFWCM-CYBMUJFWSA-N
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