Molecule
Name
Water
IUPAC name
(1H1,2H1,16O)Water
Secondary names
Hydrogen oxide, Dihydrogen oxide, HDO-16
InChI
InChI=1S/H2O/h1H2/i1+0/hDH
InChI key
XLYOFNOQVPJJNP-NAQDNALJSA-N
Comments
$HD^{16}O$ isotope
Structure and atomic composition
Formula
$HD^{16}O$
Chemical formula
H2O
Isotopic formula
[1]HD[16]O
Structural formula
[1H][16O][2H]
Charge
0
Unpaired electrons
0
  Atom Name Number
$^1H$ Hydrogen 1
$^2H$ or $D$ Hydrogen 1
$^{16}O$ Oxygen 1
Relations
  • no
Isotope mixture type
pure isotope
Spin type
unique
Spin quantum numbers
0
Molar mass
19.016841 $g/mol$
State STP
liquid
Protic
protic
Polarity
polar
Dipole
1.855 $D$
Molecule symmetry
Cs
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 $-^{16}O-D$ $A_{}'$ no 2727.0 2726.73 active active Raman: 2718 $cm^{-1}$ (gas)
V2 bending $HD^{16}O$ $A_{}'$ no 1402.0 1402.2 active active
V3 stretching $-^{16}O-^{1}H$ $A_{}'$ no 3707.0 3707.47 active active
Comments
Data from NIST Chemistry WebBook
Chemical functions
  Function Number
$R-OH$ 2
Chemical bonds
  Bond Number
$-^{16}O-^{1}H$ 1
$-^{16}O-D$ 1