Geometry & MOs

Info

ID:	259999
PubChem CID:	103179064
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	268.097855
ΔH_f, kcal/mol:	-158.37
Dipole, Da:	4.53
IP(EA), eV:	-8.61(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCCOCCOC(=O)NC1=CC=CC(=C1)N

DOS

IR

Vibrations