Geometry & MOs

Info

ID:	259926
PubChem CID:	103177613
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	7.22
IP(EA), eV:	-9.37(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzonitrile

Drug info:

PubChemData

Smile

COCCCOCCOCCOC1=CC=C(C=C1)C#N

DOS

IR

Vibrations