4-[(1S,2R)-3-(4-Fluorophenyl)-2-Hydroxy-1-(1,2,4-Triazol-1-Yl)Propyl]Benzonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C18H15FN4O
IUPAC Name 4-[(1s,2r)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-3-(4-fluorophenyl)-2-hydroxy-propyl]benzonitrile
Molecular Mass 322.336 g·mol−1
Heat of Formation 140.7 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 383.82 Å 3
Surface Area 334.87 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
Synonyms
  • fnz
InChIKey SLJZVZKQYSKYNV-MSOLQXFVSA-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