Geometry & MOs

Info

ID:	280507
PubChem CID:	103849652
Reduced:	OF2N2H8C15 (1)
Stoich.:	AB2C2D8E15 (1)
Weight, g/mol:	245.09644
ΔH_f, kcal/mol:	-19.12
Dipole, Da:	3.66
IP(EA), eV:	-9.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[2-(1-methylpyrazol-4-yl)ethoxy]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C#N)OCC2=C(C=CC(=C2)F)C#N

DOS

IR

Vibrations