Geometry & MOs

Info

ID:	212378
PubChem CID:	81060306
Reduced:	ClN4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	70.79
Dipole, Da:	5.18
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2C(=C(C(=N2)C)Cl)C

DOS

IR

Vibrations