Geometry & MOs

Info

ID:	441944
PubChem CID:	135246880
Reduced:	OF2N2C25H26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	438.01907
ΔH_f, kcal/mol:	-71.4
Dipole, Da:	6.2
IP(EA), eV:	-9.56(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-methoxy-5-[2-[4-(1,1,2-trifluoroethyl)phenoxy]pyridin-3-yl]pyridine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2=C(N=CC=C2)CC3=CN=C(C=C3)C(COC4CCC4)(F)F

DOS

IR

Vibrations