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uid 100016
parent 100008
position 2
series C9H7CN+ (2)

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

Details

Properties

Number of atoms 18
Weight 141.0578 amu
Total energy -439.9235 Hartree
Zero-point energy 87.2439 Kcal/mol
Method B3LYP/N07D
State c1
Solo hydrogens 1
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 4
Quintet hydrogens 0
CH 0
CH2 1
CH3 0
smiles N#CC1=Cc2c(C1)cccc2

Reference(s)

Comment(s)

History


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