1-(2-Fluoro-5-Nitro-Phenyl)-N-Methyl-N-[(1R)-1-Methylpropyl]-4H-Isoquinolin-2-Ium-4-Ide-3-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C21H21FN3O3
IUPAC Name 1-(2-fluoro-5-nitro-phenyl)-n-methyl-n-[(1r)-1-methylpropyl]-4h-isoquinolin-2-ium-4-ide-3-carboxamide
Molecular Mass 382.408 g·mol−1
Heat of Formation -153.6 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 449.4 Å 3
Surface Area 370.58 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.41 ± eV
Point Group Symmetry C1
InChIKey SNMZWHBXPNYHOC-CYBMUJFWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F