(2R,3S)-1-(2,4-Dichlorophenyl)-4,4-Dimethyl-2-(1H-1,2,4-Triazol-1-Yl)-3-Pentanol

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Properties Simple | Detailed

Formula C15H19Cl2N3O
IUPAC Name (2r,3s)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-pentan-3-ol
Molecular Mass 328.237 g·mol−1
Heat of Formation -100.3 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 376.08 Å 3
Surface Area 308.41 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey URDNHJIVMYZFRT-ZIAGYGMSSA-N
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Elements H C N O Cl