Geometry & MOs

Info

ID:	309990
PubChem CID:	126572511
Reduced:	ClF3N3O3C21H21 (1)
Stoich.:	AB3C3D3E21F21 (1)
Weight, g/mol:	307.97721
ΔH_f, kcal/mol:	-244.32
Dipole, Da:	6.86
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-1-[2-(trifluoromethoxy)ethyl]benzimidazole

Drug info:

PubChemData

Smile

CN1C=C(C=C(C1=O)Cl)C2=CC3=C(C=C2)N=C(N3CCOC(F)(F)F)C4CCOCC4

DOS

IR

Vibrations