Geometry & MOs

Info

ID:	250528
PubChem CID:	103097300
Reduced:	OSN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	312.054419
ΔH_f, kcal/mol:	3.43
Dipole, Da:	3.11
IP(EA), eV:	-9.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]propanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C2CCOC2

DOS

IR

Vibrations