Geometry & MOs

Info

ID:	259784
PubChem CID:	103174435
Reduced:	BrFON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-38.42
Dipole, Da:	3.5
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethyl-6-methylpyridin-3-yl)oxy-6-methylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OC2=CC(=C(C=C2N)Br)F

DOS

IR

Vibrations