(2R,3R)-2-(4-Chlorophenyl)-3-Cyclopropyl-1-(1H-1,2,4-Triazol-1-Yl)-2-Butanol

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Properties Simple | Detailed

Formula C15H18ClN3O
IUPAC Name (2r,3r)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-2-(4-chlorophenyl)-3-cyclopropyl-butan-2-ol
Molecular Mass 291.776 g·mol−1
Heat of Formation 100.7 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 354.76 Å 3
Surface Area 290.04 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
InChIKey UFNOUKDBUJZYDE-IAQYHMDHSA-N
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Elements H C N O Cl