Geometry & MOs

Info

ID:	280506
PubChem CID:	103849648
Reduced:	FN2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	270.060469
ΔH_f, kcal/mol:	-16.39
Dipole, Da:	4.05
IP(EA), eV:	-9.78(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-cyano-5-fluorophenyl)methoxy]-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC2=CC(=C(C=C2)F)C#N)[N+](=O)[O-]

DOS

IR

Vibrations