Geometry & MOs

Info

ID:	212234
PubChem CID:	81059896
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	277.121512
ΔH_f, kcal/mol:	-50.83
Dipole, Da:	5.13
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyano-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations