Geometry & MOs

Info

ID:	202120
PubChem CID:	79631419
Reduced:	BrN2F4H5C9 (1)
Stoich.:	AB2C4D5E9 (1)
Weight, g/mol:	268.00114
ΔH_f, kcal/mol:	-162.67
Dipole, Da:	3.38
IP(EA), eV:	-9.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1F)Br)N=C(N2)CC(F)(F)F

DOS

IR

Vibrations