Geometry & MOs

Info

ID:	212228
PubChem CID:	81059890
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	287.070619
ΔH_f, kcal/mol:	-10.5
Dipole, Da:	3.53
IP(EA), eV:	-9.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-2-nitrophenoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC(C)C(=O)NC

DOS

IR

Vibrations