Geometry & MOs

Info

ID:	259925
PubChem CID:	103177587
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	10.39
IP(EA), eV:	-10.13(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCCOCCOC1=CC(=C(C=C1)[N+](=O)[O-])C#N

DOS

IR

Vibrations