6-Chloro-3-Methyl-2,3,4,5-Tetrahydro-1H-3-Benzazepine 3-Oxide

Molecule SVG Image

Properties Simple | Detailed

Formula C11H14ClNO
IUPAC Name (2r)-2-[2-(2-chloro-6-ethynyl-phenyl)ethynyl]oxaziridin-2-ium
Molecular Mass 211.688 g·mol−1
Heat of Formation 1946.8 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 231.68 Å 3
Surface Area 224.32 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -3.20 ± eV
Point Group Symmetry C1
InChIKey NWKFFNFPWYTDHB-ZDUSSCGKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C N O Cl