Geometry & MOs

Info

ID:	259924
PubChem CID:	103177583
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-85.17
Dipole, Da:	4.09
IP(EA), eV:	-9.93(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3-methoxypropoxy)ethoxy]-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OCCOCCCOC

DOS

IR

Vibrations