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uid 365

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This species has a counterpart in the experimental and theoretical database.

Details

Properties

Number of atoms 24
Weight 178.0782 amu
Total energy -539.1269 Hartree
Zero-point energy 121.4877 Kcal/mol
Method B3LYP/N07D
State c2v
Solo hydrogens 0
Duo hydrogens 2
Trio hydrogens 0
Quartet hydrogens 8
Quintet hydrogens 0
CH 0
CH2 0
CH3 0
smiles c12c3c(ccc1cccc2)cccc3

Reference(s)

Comment(s)

History


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45 species present in version 1.00 of the anharmonic database (Jul 1, 2026)