Geometry & MOs

Info

ID:	288739
PubChem CID:	104324748
Reduced:	N3O3H11C15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	301.030584
ΔH_f, kcal/mol:	60.52
Dipole, Da:	3.89
IP(EA), eV:	-9.44(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-6-fluorophenyl)methoxy]-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)COC3=C(OC4=CC=CC=C43)C#N

DOS

IR

Vibrations