Geometry & MOs

Info

ID:	262305
PubChem CID:	103283744
Reduced:	FNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-60.22
Dipole, Da:	4.44
IP(EA), eV:	-9.61(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-methylpentoxy)propoxy]benzonitrile

Drug info:

PubChemData

Smile

CCCC(C)COC1=CC(=CC(=C1)C#N)F

DOS

IR

Vibrations