Molecule
- Name
- Water
- IUPAC name
- (1H2,16O)Water
- Secondary names
- Hydrogen oxide, Dihydrogen oxide, Water-16O, H2O-16
- InChI
- InChI=1S/H2O/h1H2/i1+0/hH2
- InChI key
- XLYOFNOQVPJJNP-FNDQEIABSA-N
- Comments
- $H_2^{16}O$ isotope
- Formula
- $H_2~^{16}O$
- Chemical formula
- H2O
- Isotopic formula
- [1]H2[16]O
- Structural formula
- [1H][16O][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
- 18.010565 $g/mol$
- 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. $H_2~^{16}O$ $A_{1}$ no 3657.0 3656.65 3835.0 active active s Raman: 3654 $cm^{-1}$ (gas) V2 bending $H_2~^{16}O$ $A_{1}$ no 1595.0 1594.59 1648.0 active active vs V3 stretching asym. $H_2~^{16}O$ $B_{1}$ no 3756.0 3755.79 3939.0 active active vs - Comments
- Data from NIST Chemistry WebBook