Geometry & MOs

Info

ID:	182826
PubChem CID:	76941990
Reduced:	FBr2N2O2C14H15 (1)
Stoich.:	AB2C2D2E14F15 (1)
Weight, g/mol:	310.03169
ΔH_f, kcal/mol:	-112.29
Dipole, Da:	3.22
IP(EA), eV:	-10.15(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-[cyclopentyl(hydroxy)methyl]-1,6-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

C1C(C(CC2C1NC(=O)N2)Br)C(C3=CC(=C(C=C3)Br)F)O

DOS

IR

Vibrations