Urea family plays significant role in the bio-science area.Because of the unique frame,they can form Hydrogen bond with water as well as other substance.Hydrogen bonds are normal weak interactions in the system of bio-molecules.A Raman spectrum is the most powerful method to obscure the Hydrogen bond interaction between molecules.Initially,we measure the Raman spectra of DMU crystal,and then use density function theory with a B3LYP/6-311G** basis set to optimize the geometry structure and calculate the vibrational frequency of gas phase DMU,which assigns the Raman pecks.Then,measure the solvent.When dissolving DMU in water,the interaction between DMU-DMU will replaced by the interaction between water-DMU.The orbital hybridization of nitrogen atoms changes from the solid-state the sp2 orbital hybridization to sp3.So,the frame of this molecule goes from in-planet to out of plant during this process.