Geometry & MOs

Info

ID:	266460
PubChem CID:	103567109
Reduced:	ClFNO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-56.19
Dipole, Da:	4.64
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OCC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations