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II.A.1. (XV.A.)

Listing of experimental data for NH2Cl (chloramine)

Other names
Chloramide; Chloroamine; Monochloramide; Monochloramine; Monochloroamine; Monochloroammonia;
INChI SMILES IUPAC name
InChI=1S/ClH2N/c1-2/h2H2 NCl
State Conformation
1A' CS
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 (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment

Calculated vibrational frequencies for NH2Cl (chloramine).
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 NH2Cl (chloramine).

Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6

Geometric Data
picture of chloramine

Point Group Cs

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 NH2Cl (chloramine).

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

Connectivity
Atom 1 Atom 2
N1 Cl2
N1 H3
N1 H4

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.850 0.020     webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for NH2Cl (chloramine).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for NH2Cl (chloramine).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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