Ethyl 21,21,21-Trifluoroeburnamenine-14-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C22H23F3N2O2
IUPAC Name ethyl 21,21,21-trifluoroeburnamenine-14-carboxylate
Molecular Mass 404.425 g·mol−1
Heat of Formation -796.8 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 453.0 Å 3
Surface Area 368.99 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 21,21,21-tfaee
  • 21,21,21-trifluoroapovincaminic acid ethyl ester
  • ethyl 21,21,21-trifluoroapovincaminate
CAS Number(s)
  • 129959-03-1
InChIKey NALBTKVBJYORJH-PZJWPPBQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F