Geometry & MOs

Info

ID:	272822
PubChem CID:	103759978
Reduced:	FNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	258.082684
ΔH_f, kcal/mol:	-90.21
Dipole, Da:	3.51
IP(EA), eV:	-8.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methylbenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)OCC2=C(C=CC(=C2)F)C#N)OC

DOS

IR

Vibrations