(16R)-19-Amino-13-Fluoro-3,5,8,16-Tetramethyl-17-Oxa-4,5,8,20-Tetraazatetracyclo[16.3.1.0~2,6~.0~10,15~]Docosa-1(22),2(6),3,10,12,14,18,20-Octaen-9-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H22FN5O2
IUPAC Name (16r)-19-amino-13-fluoro-3,5,8,16-tetramethyl-17-oxa-4,5,8,20-tetraazatetracyclo[16.3.1.0 2,6 .0 10,15 ]docosa-1(22),2(6),3,10,12,14,18,20-octaen-9-one
Molecular Mass 395.430 g·mol−1
Heat of Formation -96.5 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 450.9 Å 3
Surface Area 364.29 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
InChIKey ASQDMAQHZGURLM-GFCCVEGCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N