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II.A.1. (XV.A.) |
| INChI | SMILES | IUPAC name |
|---|---|---|
| InChI=1S/CH4Si/c1-2/h1-2H2 | C=Si |
| State | Conformation |
|---|---|
| 1A1 | C2V |
| Property | Value | Uncertainty | units | Reference | Comment |
|---|
| Mode Number | Symmetry | Frequency (cm-1) | Frequency Reference | Intensity (km mol-1) | Int. unc. | Intensity Reference | Comment |
|---|---|---|---|---|---|---|---|
| 2 | A1 | 2219 | webbook | SiH2 sym stretch | |||
| 3 | A1 | 1350 | webbook | CH2 scissors | |||
| 4 | A1 | 985 | webbook | Si=C stretch | |||
| 5 | A1 | 927 | webbook | SiH2 scissors | |||
| 7 | B1 | 741 | webbook | CH2 wag | |||
| 10 | B2 | 2239 | webbook | SiH2 asym stretch | |||
| 11 | B2 | 817 | webbook | CH2 rock |
| A | B | C | reference | comment |
|---|
Product of moments of inertia ![]() | ||||
|---|---|---|---|---|
| amu3Å6 | 0 | gm3 cm6 | ||
Point Group C2v
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
| Description | Value | unc. | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | |||||
Cartesians
| Atom | x (Å) | y (Å) | z (Å) |
|---|
Atom - Atom Distances
Distances in Å
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Bond Type | Count |
|---|---|
| C=Si | 1 |
| H-C | 2 |
| H-Si | 3 |
Connectivity
| Atom 1 | Atom 2 |
|---|---|
| C1 | Si2 |
| C1 | H3 |
| C1 | H4 |
| Si2 | H5 |
| Si2 | H6 |
| Energy (cm-1) | Degeneracy | reference | description |
|---|
| squib | reference | DOI |
|---|---|---|
| webbook | NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) |
Got a better number? Please email us at
cccbdb@nist.gov
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