1-[3-(5-Methyl-3-Phenyl-1H-1,2,4-Triazol-1-Yl)Propyl]-3-Piperidinol

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Properties Simple | Detailed

Formula C17H24N4O
IUPAC Name (3r)-1-[3-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)propyl]piperidin-3-ol
Molecular Mass 300.399 g·mol−1
Heat of Formation 41.5 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 381.49 Å 3
Surface Area 333.17 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
InChIKey CQOFGODMYJOCEB-MRXNPFEDSA-N
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