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uid 100007

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

Details

Properties

Number of atoms 21
Weight 124.1 amu
Total energy -383.337 Hartree
Zero-point energy 117.4717 Kcal/mol
Method B3LYP/N07D
State c1
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH 0
CH2 6
CH3 0
smiles N12CCCC1=NCCC2

Reference(s)

Comment(s)

History


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