Geometry & MOs

Info

ID:	250512
PubChem CID:	103097218
Reduced:	SN2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	248.044191
ΔH_f, kcal/mol:	60.88
Dipole, Da:	3.01
IP(EA), eV:	-8.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2=C(C3=CC=CC=C13)N=C(S2)C(C)(C)C#N

DOS

IR

Vibrations