Geometry & MOs

Info

ID:	445696
PubChem CID:	135268973
Reduced:	O3N6H24C26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	173.05105
ΔH_f, kcal/mol:	28.57
Dipole, Da:	4.11
IP(EA), eV:	-8.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-1,3-thiazol-2-yl)propane-1,1-diol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC=NC3=C2C=CC(=C3)N4CCOCC4)C(C5=NC=CN6C5=NC=C6)O

DOS

IR

Vibrations