Letrozole

Molecule SVG Image

Properties Simple | Detailed

Formula C17H11N5
IUPAC Name 4-[4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl-(4-cyanophenyl)methyl]benzonitrile
Molecular Mass 285.303 g·mol−1
Heat of Formation 703.4 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 343.3 Å 3
Surface Area 313.24 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 4,4'-(1h-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile
  • 4,4'-(1h-1,2,4-triazol-1-ylmethylene)dibenzonitrile
  • 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
  • benzonitrile, 4,4'-(1h-1,2,4-triazol-1-ylmethylene)bis-
  • bpbio1_001331
  • cgs 20267
  • cgs-20267
  • d00964
  • fem-345
  • femara
  • letrozole (jan/usp/inn)
CAS Number(s)
  • 112809-51-5
InChIKey HPJKCIUCZWXJDR-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N