(2S)-2-(4-Chlorophenyl)-2-(1H-1,2,4-Triazol-1-Ylmethyl)Hexanenitrile

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Properties Simple | Detailed

Formula C15H17ClN4
IUPAC Name (2s)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Molecular Mass 288.775 g·mol−1
Heat of Formation 322.1 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 357.8 Å 3
Surface Area 308.14 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey HZJKXKUJVSEEFU-OAHLLOKOSA-N
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Elements H C N Cl