Geometry & MOs

Info

ID:	212533
PubChem CID:	81060873
Reduced:	ON5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	54.86
Dipole, Da:	6.5
IP(EA), eV:	-10.04(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-propan-2-yloxyethoxy)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations