Geometry & MOs

Info

ID:	212253
PubChem CID:	81059940
Reduced:	OSN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	34.72
Dipole, Da:	4.62
IP(EA), eV:	-9.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OCC2=CC=CS2

DOS

IR

Vibrations