Geometry & MOs

Info

ID:	8826
PubChem CID:	81977
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	15.04
Dipole, Da:	3.98
IP(EA), eV:	-9.42(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-cyanophenoxy)pentoxy]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)OCCCCCOC2=CC=C(C=C2)C#N

DOS

IR

Vibrations