Geometry & MOs

Info

ID:	259923
PubChem CID:	103177562
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-69.55
Dipole, Da:	7.26
IP(EA), eV:	-9.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methoxypropoxy)ethoxy]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COCCCOCCOC1=C(C=C(C=C1)C#N)Br

DOS

IR

Vibrations