Geometry & MOs

Info

ID:	441914
PubChem CID:	135246638
Reduced:	F3N5H18C21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	98.27
Dipole, Da:	6.69
IP(EA), eV:	-8.77(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenoxy)-3-(4-methylpyridin-3-yl)pyridine

Drug info:

PubChemData

Smile

CC1=NC2=CC=NN2C(=C1)/C/3=C/CC/C=C\N=C3CC4=CN=C(C=C4)C(F)(F)F

DOS

IR

Vibrations