Geometry & MOs

Info

ID:	259922
PubChem CID:	103177556
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	1.97
IP(EA), eV:	-9.88(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[2-(3-methoxypropoxy)ethoxy]benzonitrile

Drug info:

PubChemData

Smile

COCCCOCCOC1=C(C=CN=N1)C#N

DOS

IR

Vibrations