1-[(2R)-4-{3-[(3S,5S,7S)-Adamantan-1-Yloxy]Phenyl}-3-Butyn-2-Yl]-1-Hydroxyurea

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Properties Simple | Detailed

Formula C21H26N2O3
IUPAC Name 1-[(1r)-3-[3-(1-adamantyloxy)phenyl]-1-methyl-prop-2-ynyl]-1-hydroxy-urea
Molecular Mass 354.443 g·mol−1
Heat of Formation -216.0 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 429.36 Å 3
Surface Area 371.26 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
InChIKey PFKKAYHOZBGYNL-YUZRNDJPSA-N
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