1,2,5,5-Tetramethyl-1-{(3E)-3-Methyl-5-[(6Z)-3-Methyl-6-(Methylimino)-3,6-Dihydro-7H-Purin-7-Yl]-3-Penten-1-Yl}Octahydro-4A(2H)-Naphthalenol

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Properties Simple | Detailed

Formula C27H45N5O
IUPAC Name [7-[(e)-5-[(1s,2r,4as,8ar)-4a-hydroxy-1,2,5,5-tetramethyl-decalin-1-yl]-3-methyl-pent-2-enyl]-3-methyl-purine-1,9-diium-5-id-6-yl]-methyl-azanide
Molecular Mass 455.679 g·mol−1
Heat of Formation -148.8 ± 16.7 kJ·mol−1
Dipole Moment 1.07 ± 1.08 D
Volume 593.68 Å 3
Surface Area 436.82 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 3.00 ± eV
Point Group Symmetry C1
InChIKey YVDWEKJDGYJOJU-AVQWXDCKSA-N
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