Geometry & MOs

Info

ID:	374670
PubChem CID:	131342378
Reduced:	OSN2C7H8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	168.035734
ΔH_f, kcal/mol:	6.86
Dipole, Da:	2.23
IP(EA), eV:	-9.29(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-1,3-thiazol-2-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(CC#N)C1=NC(=CS1)O

DOS

IR

Vibrations