Molecule
- Name
- Water
- IUPAC name
- (1H2,18O)Water
- Secondary names
- Hydrogen oxide, Dihydrogen oxide, Water-18O, H2O-18
- InChI
- InChI=1S/H2O/h1H2/i1+2/hH2
- InChI key
- XLYOFNOQVPJJNP-OXEBXWKTSA-N
- Comments
- $H_2^{18}O$ isotope
- Formula
- $H_2~^{18}O$
- Chemical formula
- H2O
- Isotopic formula
- [1]H2[18]O
- Structural formula
- [1H][18O][1H]
- Charge
- 0
- Unpaired electrons
- 0
- Relations
-
- no
- Isotope mixture type
- pure isotope
- Spin type
- equilibrated
- Spin quantum numbers
- 0, 1
- Equilibrium ortho/para ratio
- 3 (3/1)
- Molar mass
- 20.014811 $g/mol$
- State STP
- liquid
- Protic
- protic
- Polarity
- polar
- Dipole
- 1.855 $D$
- Molecule symmetry
- C2v
- Case
- nonlinear-triatomic
- Vibrations number
- 3
- Vibrations
-
Label Mode Bond Symmetry Degeneracy Fundamental frequency Observed frequency Observed frequency Harmonic frequency Activity IR Activity Raman Strength Comments V1 stretching sym. $H_2~^{18}O$ $A_{1}$ no 3650.0 3649.68 active active V2 bending $H_2~^{18}O$ $A_{1}$ no 1588.0 1588.275 active active V3 stretching asym. $H_2~^{18}O$ $B_{1}$ no 3742.0 3741.58 active active - Comments
- Data from NIST Chemistry WebBook