Zolertine

Molecule SVG Image

Properties Simple | Detailed

Formula C13H18N6
IUPAC Name 1-phenyl-4-[2-(2h-tetrazol-5-yl)ethyl]piperazine
Molecular Mass 258.322 g·mol−1
Heat of Formation 453.5 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 317.22 Å 3
Surface Area 294.05 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1-phenyl-4-(2-(1h-tetrazol-5-yl)ethyl)piperazine
  • 1-phenyl-4-[2-(2h-1,2,3,4-tetrazol-5-yl)ethyl]piperazine
  • piperazine, 1-phenyl-4-(2-(1h-tetrazol-5-yl)ethyl)-
CAS Number(s)
  • 4004-94-8
InChIKey XTTHMUYLNLEJRS-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N