Geometry & MOs

Info

ID:	297157
PubChem CID:	117610606
Reduced:	FON2H5C9 (1)
Stoich.:	ABC2D5E9 (1)
Weight, g/mol:	428.132491
ΔH_f, kcal/mol:	3.17
Dipole, Da:	7.56
IP(EA), eV:	-10.13(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-2-fluorobenzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C#N)F)C#N

DOS

IR

Vibrations