Geometry & MOs

Info

ID:	288740
PubChem CID:	104324749
Reduced:	ClFNO2H9C16 (1)
Stoich.:	ABCD2E9F16 (1)
Weight, g/mol:	253.085127
ΔH_f, kcal/mol:	-17.77
Dipole, Da:	6.3
IP(EA), eV:	-9.11(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methylimidazol-4-yl)methoxy]-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C#N)OCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations