4-Methylphenyl 1,4-Diazabicyclo[3.2.2]Nonane-4-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C15H20N2O2
IUPAC Name p-tolyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
Molecular Mass 260.331 g·mol−1
Heat of Formation -264.4 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 319.49 Å 3
Surface Area 284.38 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 3.21 ± eV
Point Group Symmetry C1
Synonyms
  • (4-methylphenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
  • 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid (4-methylphenyl) ester
InChIKey ARTYZBLKDXNPKZ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N