(3S,6S)-3-Benzyl-1-Methyl-6-[(4-Nitroindol-1-Ium-3-Yl)Methyl]Piperazine-2,5-Dione

Molecule SVG Image

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 -120.0 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 446.74 Å 3
Surface Area 367.16 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
InChIKey KHXKLVVQQNNFTE-WMZOPIPTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N