(2S)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-Triazol-1-Yl)-2-Hexanol

Molecule SVG Image

Properties Simple | Detailed

Formula C14H17Cl2N3O
IUPAC Name (2s)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-2-(2,4-dichlorophenyl)hexan-2-ol
Molecular Mass 314.210 g·mol−1
Heat of Formation -59.3 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 358.23 Å 3
Surface Area 300.38 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
InChIKey STMIIPIFODONDC-CQSZACIVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl