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uid 100001

TransitionsLeft-clk & drag: Zoom; Right-clk: reset

Details

Properties

Number of atoms 20
Weight 152.0626 amu
Total energy -461.9357 Hartree
Zero-point energy 98.88106 Kcal/mol
Method B3LYP/N07D
State cs
Solo hydrogens 1
Duo hydrogens 0
Trio hydrogens 3
Quartet hydrogens 4
Quintet hydrogens 0
CH 0
CH2 0
CH3 0
smiles C12=CC=CC1=Cc1c2cccc1

Reference(s)

Comment(s)

History


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