2-[3-[[4-Bromo-5-(1-Fluorovinyl)-3-Methyl-2-Thienyl]Methylamino]Propylamino]-1,3,5,6,7,8-Hexahydroquinoline-2,3,4A,5,6,7,8,8A-Octaid-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C20H30BrFN3OS+
IUPAC Name 2-[3-[[4-bromo-5-(1-fluorovinyl)-3-methyl-2-thienyl]methylamino]propylamino]-1,3,5,6,7,8-hexahydroquinoline-2,3,4a,5,6,7,8,8a-octaid-4-one
Molecular Mass 459.439 g·mol−1
Heat of Formation -73.5 ± 16.7 kJ·mol−1
Dipole Moment 7.46 ± 1.08 D
Volume 473.76 Å 3
Surface Area 375.78 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey HLRPQTYATOCUBC-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S Br