Geometry & MOs

Info

ID:	250508
PubChem CID:	103097186
Reduced:	OSN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	256.10342
ΔH_f, kcal/mol:	35.72
Dipole, Da:	3.59
IP(EA), eV:	-8.74(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CSC(=N2)C(C)(C)C#N

DOS

IR

Vibrations