Geometry & MOs

Info

ID:	212394
PubChem CID:	81060402
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	269.080041
ΔH_f, kcal/mol:	17.31
Dipole, Da:	5.27
IP(EA), eV:	-9.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(3-nitrophenoxy)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OCC2CC2

DOS

IR

Vibrations