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uid 100018
parent 330
position 2
series C10H7CN (1) C10H7CN (2) C10H7NC (1)

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

Details

Properties

Number of atoms 19
Weight 153.0578 amu
Total energy -478.0119 Hartree
Zero-point energy 91.07359 Kcal/mol
Method B3LYP/N07D
State cs
Solo hydrogens 1
Duo hydrogens 2
Trio hydrogens 0
Quartet hydrogens 4
Quintet hydrogens 0
CH 0
CH2 0
CH3 0
smiles c12c(cccc2)ccc(c1)[N]#[C-]

Reference(s)

Comment(s)

History


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