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uid 282

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

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

Details

Properties

Number of atoms 30
Weight 228.0939 amu
Total energy -692.993 Hartree
Zero-point energy 150.5853 Kcal/mol
Method B3LYP/N07D
State ci
Solo hydrogens 4
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 8
Quintet hydrogens 0
CH 0
CH2 0
CH3 0
smiles c12c(cc3c(c1)cccc3)cc1c(c2)cccc1

Reference(s)

Comment(s)

History


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