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Experimental data for AlNC (Aluminum isocyanide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/CN.Al/c1-2; [Al][N]#[C]
State Conformation
1Σ C*V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ+ 2069   webbook       NC str
2 Σ+ 557   webbook       AlN stretch
3 Π 100   webbook       bend

vibrational zero-point energy: 1413.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for AlNC (Aluminum isocyanide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.19963   2001Wal/Eva:178-191 B0

Calculated rotational constants for AlNC (Aluminum isocyanide).
Product of moments of inertia moments of inertia
84.4455amu Å2   1.402273E-38gm cm2
Geometric Data
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