Geometry & MOs

Info

ID:	212429
PubChem CID:	81060521
Reduced:	BrFN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	18.91
Dipole, Da:	3.72
IP(EA), eV:	-9.22(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations