3-[[(1R,2R,4As,8As)-1,2,4A,5-Tetramethyl-1,3,4,7,8,8A-Hexahydronaphthalen-2-Yl]Methyl]-5-Amino-4-Hydroxy-1,2-Benzoquinone

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Properties Simple | Detailed

Formula C21H29NO3
IUPAC Name 3-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-5-amino-4-hydroxy-1,2-benzoquinone
Molecular Mass 343.460 g·mol−1
Heat of Formation -483.1 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 428.58 Å 3
Surface Area 342.2 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 1.69 ± eV
Point Group Symmetry C1
InChIKey YPHRSJYIWCYOQA-NEGFDYCVSA-N
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