Geometry & MOs

Info

ID:	21656
PubChem CID:	589434
Reduced:	OF3N4H7C13 (1)
Stoich.:	AB3C4D7E13 (1)
Weight, g/mol:	292.057195
ΔH_f, kcal/mol:	-59.41
Dipole, Da:	8.92
IP(EA), eV:	-9.93(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[3-(trifluoromethyl)phenoxy]imidazole-4,5-dicarbonitrile

Drug info:

PubChemData

Smile

CN1C(=C(N=C1OC2=CC=CC(=C2)C(F)(F)F)C#N)C#N

DOS

IR

Vibrations