Geometry & MOs

Info

ID:	212627
PubChem CID:	81061264
Reduced:	N5C14H17 (1)
Stoich.:	A5B14C17 (1)
Weight, g/mol:	249.090212
ΔH_f, kcal/mol:	80.19
Dipole, Da:	5.39
IP(EA), eV:	-9.72(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN(C(=N1)CC)C2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations