Geometry & MOs

Info

ID:	430573
PubChem CID:	135170639
Reduced:	SN2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	268.082347
ΔH_f, kcal/mol:	23.83
Dipole, Da:	5.51
IP(EA), eV:	-8.3(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxypyridin-3-yl)-2-methyl-4-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CC1=CN2CCCSC2=N1

DOS

IR

Vibrations