(1R,6S,8R)-6-Hydroxy-8-Isocyano-8-[(Z)-1-Isocyano-2-(4-Methoxyphenyl)Vinyl]Bicyclo[4.2.0]Oct-4-En-3-One

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Properties Simple | Detailed

Formula C19H18N2O3
IUPAC Name (1r,6s,8r)-6-hydroxy-8-isocyano-8-[(z)-1-isocyano-2-(4-methoxyphenyl)vinyl]bicyclo[4.2.0]oct-4-en-3-one
Molecular Mass 322.358 g·mol−1
Heat of Formation 146.2 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 397.21 Å 3
Surface Area 336.17 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
InChIKey RSGDWLLFVDZTKC-OSFNMUGPSA-N
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