7-Chloro-8A-Isocyano-5,5,8,11,11-Pentamethyl-8-Vinyl-1,5,5A,6,7,8,8A,11-Octahydro-8Bh-1-Azacyclohepta[Mno]Aceanthrylen-8B-Ol

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Formula C26H30ClN2O
IUPAC Name 7-chloro-8a-isocyano-5,5,8,11,11-pentamethyl-8-vinyl-1,5,5a,6,7,8,8a,11-octahydro-8bh-1-azacyclohepta[mno]aceanthrylen-8b-ol
Molecular Mass 421.982 g·mol−1
Heat of Formation 113.3 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 505.64 Å 3
Surface Area 374.95 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
InChIKey RSUTYZFOFIAHFY-OWINPNOJSA-N
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Elements H C N O Cl