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Experimental data for CH2C(OH)NH2 (1-amino vinyl alchohol)

22 02 02 11 45
Other names
1-aminoethen-1-ol; ethenol, 1-amino;
INChI INChIKey SMILES IUPAC name
InChI=1S/C2H5NO/c1-2(3)4/h4H,1,3H2 C=C(O)N 1-aminoethen-1-ol
State Conformation
1A C1
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

Calculated vibrational frequencies for CH2C(OH)NH2 (1-amino vinyl alchohol).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for CH2C(OH)NH2 (1-amino vinyl alchohol).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of 1-amino vinyl alchohol

Point Group C1


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 bond lengths
Distances in Å
 

Calculated geometries for CH2C(OH)NH2 (1-amino vinyl alchohol).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C=C 1
C-N 1
C-O 1
H-C 2
H-N 2
H-O 1

Connectivity
Atom 1 Atom 2
C1 C2
C1 N3
C1 O4
C2 H5
C2 H6
N3 H7
N3 H8
O4 H9
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1A C1 True           C1 3 5
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for CH2C(OH)NH2 (1-amino vinyl alchohol).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1A C1 True       C1 3 5

Calculated electric quadrupole moments for CH2C(OH)NH2 (1-amino vinyl alchohol).

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