Geometry & MOs

Info

ID:	284056
PubChem CID:	104030746
Reduced:	BrNOSC12H12 (1)
Stoich.:	ABCDE12F12 (1)
Weight, g/mol:	251.05132
ΔH_f, kcal/mol:	9.68
Dipole, Da:	2.32
IP(EA), eV:	-9.11(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3,5-dimethylphenoxy)-2-fluoropyridine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OCCC2=CC=CS2)Br

DOS

IR

Vibrations