Esoxybutynin

Molecule SVG Image

Properties Simple | Detailed

Formula C22H31NO3
IUPAC Name 4-(diethylamino)but-2-ynyl (2s)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate
Molecular Mass 357.486 g·mol−1
Heat of Formation -349.7 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 472.8 Å 3
Surface Area 377.38 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 4-diethylaminobut-2-ynyl ester
  • (2s)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid 4-diethylaminobut-2-ynyl ester
  • 4-diethylaminobut-2-ynyl (2s)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate
  • 4-diethylaminobut-2-ynyl (2s)-2-cyclohexyl-2-hydroxy-2-phenyl-ethanoate
  • 4-diethylaminobut-2-ynyl (2s)-2-cyclohexyl-2-hydroxy-2-phenylacetate
InChIKey XIQVNETUBQGFHX-JOCHJYFZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N