Geometry & MOs

Info

ID:	202118
PubChem CID:	79631417
Reduced:	BrN2F4H5C13 (1)
Stoich.:	AB2C4D5E13 (1)
Weight, g/mol:	326.07939
ΔH_f, kcal/mol:	-104.46
Dipole, Da:	4.4
IP(EA), eV:	-9.26(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-fluoro-2-octyl-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)C2=NC3=CC(=C(C=C3N2)F)Br)F)F

DOS

IR

Vibrations