Geometry & MOs

Info

ID:	257618
PubChem CID:	103147390
Reduced:	NO2F3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	255.054084
ΔH_f, kcal/mol:	-206.03
Dipole, Da:	6.41
IP(EA), eV:	-9.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C=N2)C(CCOCC(F)(F)F)O

DOS

IR

Vibrations