(1S)-1-[5-[5-(Bromomethyl)-2-Pyridyl]Oxazol-2-Yl]-7-Phenyl-Heptan-1-Ol

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Properties Simple | Detailed

Formula C22H25BrN2O2
IUPAC Name (1s)-1-[5-[5-(bromomethyl)-2-pyridyl]oxazol-2-yl]-7-phenyl-heptan-1-ol
Molecular Mass 429.350 g·mol−1
Heat of Formation -98.4 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 481.28 Å 3
Surface Area 442.89 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
InChIKey LMYCIAKTMGFSLZ-FQEVSTJZSA-N
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Elements H C Br O N