Geometry & MOs

Info

ID:	254295
PubChem CID:	103124045
Reduced:	ClFON2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	253.046296
ΔH_f, kcal/mol:	-5.21
Dipole, Da:	2.84
IP(EA), eV:	-9.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(=O)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations