(2S)-2-(4-Sec-Butylphenyl)Propanenitrile

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Properties Simple | Detailed

Formula C13H17N
IUPAC Name (2s)-2-[4-[(1s)-1-methylpropyl]phenyl]propanenitrile
Molecular Mass 187.281 g·mol−1
Heat of Formation 69.6 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 265.16 Å 3
Surface Area 245.48 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
InChIKey GSHMPFMOPDUCCK-WDEREUQCSA-N
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Elements H C N