Geometry & MOs

Info

ID:	250510
PubChem CID:	103097202
Reduced:	SN2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	220.028204
ΔH_f, kcal/mol:	57.23
Dipole, Da:	3.75
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=CSC(=N2)C(C)(C)C#N

DOS

IR

Vibrations