Geometry & MOs

Info

ID:	250529
PubChem CID:	103097302
Reduced:	OSN2F3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	256.10342
ΔH_f, kcal/mol:	-128.2
Dipole, Da:	1.77
IP(EA), eV:	-9.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations