Geometry & MOs

Info

ID:	258093
PubChem CID:	103150836
Reduced:	OF3N3C14H20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	250.038769
ΔH_f, kcal/mol:	-194.88
Dipole, Da:	7.56
IP(EA), eV:	-9.68(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=C2CC(CCC2=NC(=N1)CCOCC(F)(F)F)CN

DOS

IR

Vibrations