## I.B.3. (II.A.2.) |

Other names |
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(Methylamino)ethanoic acid; Acetic acid, (methylamino)-; Glycine, N-methyl-; Methylaminoacetic acid; Methylglycine; N-Methylaminoacetic acid; N-Methylglycine; Sarcosin; Sarcosine; Sarcosinic acid; 2-(methylamino)acetic acid; |

INChI |
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InChI=1/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) |

An "x" indicates that data is available. A number indicates how many calculations have been completed.

Property | Experiment | Calculated | Comparison | |
---|---|---|---|---|

Energies Entropies |
Enthalpy 298.15K | x | ||

Enthalpy 0K | ||||

Energy 0K | 205 | |||

Energy 298.15K | 181 | |||

Atomization Enthalpy 298.15K | x | 168 | x | |

Atomization Enthalpy 0K | 168 | |||

Entropy (298.15K) | 168 | |||

Entropy at any temperature | 168 | |||

Integrated Heat Capacity | 168 | |||

Heat Capacity (Cp) | 168 | |||

Nuclear Repulsion Energy | 202 | |||

HOMO-LUMO Energies | 201 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 190 | ||

Internal Coordinates | 190 | |||

Products of moments of inertia | 194 | |||

Rotational Constants | 202 | |||

Point Group | 203 | |||

Vibrations | Vibrational Frequencies | 198 | ||

Vibrational Intensities | 198 | |||

Zero-point energies | 198 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | ||||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 140 | ||

Dipole | 137 | |||

Quadrupole | 141 | |||

Polarizability | 140 | |||

Other results | Spin | 0 | ||

Number of basis functions | 5 | |||

Diagnostics | 4 | |||

Conformations | 1 |