Geometry & MOs

Info

ID:	250525
PubChem CID:	103097291
Reduced:	SN2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	276.073262
ΔH_f, kcal/mol:	16.56
Dipole, Da:	3.74
IP(EA), eV:	-9.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCCC1CCC2=C(C1)SC(=N2)C(C)(C)C#N

DOS

IR

Vibrations