(1S,2S,4Ar,5R,8R,8Ar)-8-[(2S,5R)-5-Chloro-2,6,6-Trimethyl-Tetrahydropyran-2-Yl]-1,5-Diisocyano-2,5-Dimethyl-Decalin-2-Ol

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Properties Simple | Detailed

Formula C22H35ClN2O2
IUPAC Name (1s,2s,4ar,5r,8r,8ar)-8-[(2s,5r)-5-chloro-2,6,6-trimethyl-tetrahydropyran-2-yl]-1,5-diisocyano-2,5-dimethyl-decalin-2-ol
Molecular Mass 394.978 g·mol−1
Heat of Formation -332.8 ± 16.7 kJ·mol−1
Dipole Moment 6.35 ± 1.08 D
Volume 504.29 Å 3
Surface Area 363.93 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 3.95 ± eV
Point Group Symmetry C1
InChIKey OTCZJVDJPQFCIZ-CGYKTZFGSA-N
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Elements H C N O Cl