(3S,6S)-3-Benzyl-1-Methyl-6-[(4-Nitro-1H-Indol-3-Yl)Methyl]-2,5-Piperazinedione

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Properties Simple | Detailed

Formula C21H20N4O4
IUPAC Name (3s,6s)-3-benzyl-1-methyl-6-[(4-nitroindol-1-ium-3-yl)methyl]piperazine-2,5-dione
Molecular Mass 392.408 g·mol−1
Heat of Formation -120.1 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 446.71 Å 3
Surface Area 367.45 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s)-3-(benzyl)-1-methyl-6-[(4-nitro-1h-indol-3-yl)methyl]piperazine-2,5-quinone
InChIKey IAIWBAHUWORDTI-WMZOPIPTSA-N
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