4-[1-(4-Chlorophenyl)-4,5-Dihydro-1H-1,2,3-Triazol-5-Yl]Pyridine

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Properties Simple | Detailed

Formula C13H11ClN4
IUPAC Name 4-[(4s)-3-(4-chlorophenyl)-4,5-dihydrotriazol-4-yl]pyridine
Molecular Mass 258.706 g·mol−1
Heat of Formation 422.8 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 295.38 Å 3
Surface Area 257.01 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
InChIKey VVRREURVTJNTQQ-CYBMUJFWSA-N
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Elements H C N Cl