Geometry & MOs

Info

ID:	254293
PubChem CID:	103124037
Reduced:	ON4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	203.04949
ΔH_f, kcal/mol:	74.18
Dipole, Da:	4.73
IP(EA), eV:	-9.19(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-(2-oxo-1H-imidazol-3-yl)benzonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations