Geometry & MOs

Info

ID:	212577
PubChem CID:	81061072
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	242.085541
ΔH_f, kcal/mol:	-51.31
Dipole, Da:	4.48
IP(EA), eV:	-9.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OCC2CCCCO2

DOS

IR

Vibrations