Molecule
- Name
- Cyanoacetylene
- IUPAC name
- Prop-2-ynenitrile
- Secondary names
- Propiolonitrile, Cyanaethylene, Cyanoethyne, Propynenitrile, HC≡CCN, HC3N
- InChI
- InChI=1S/C3HN/c1-2-3-4/h1H
- InChI key
- LNDJVIYUJOJFSO-UHFFFAOYSA-N
- CAS number
- 1070-71-9
- Comments
- natural HC3N
- Formula
- HC3N
- Chemical formula
- HC3N
- Structural formula
- [HC]#CC#N
- Charge
- 0
- Unpaired electrons
- 0
- Relations
-
- no
- Isotope mixture type
- terrestrial abundance
- Spin type
- unique
- Molar mass
- 51.0467 g/mol
- State STP
- liquid
- Protic
- protic
- Polarity
- polar
- Dipole
- 3.73172 D
- Molecule symmetry
- Cinfv
- Case
- linear-polyatomic
- Vibrations number
- 7
- Vibrations
-
Label Mode Bond Symmetry Degeneracy Fundamental frequency Observed frequency Observed frequency Harmonic frequency Activity IR Activity Raman Strength Comments V1 stretching ≡C−H Σ+ no 3327.0 3318.0 3334.0 active vs observed: P and R branchs V2 stretching −C≡C− Σ+ no 2274.0 2262.0 2279.0 active s observed: P and R branchs - attributed to C≡N stretching in all former papers V3 stretching −C≡N Σ+ no 2079.0 2068.0 2084.0 active m observed: P and R branchs - attributed to C≡C stretching in all former papers V4 stretching ≡C−C≡ Σ+ no 862.0 862.0 active w blended with ν5+ν7 V5 bending −C≡C−H Π double 663.0 663.2 active vs V6 bending ≡C−C≡N Π double 499.0 498.8 active s V7 bending −C≡C−C≡ Π double 222.0 222.4 active w - Publications