Geometry & MOs

Info

ID:	212335
PubChem CID:	81060201
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-4.68
Dipole, Da:	4.79
IP(EA), eV:	-8.88(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCC(C2)COC

DOS

IR

Vibrations