Geometry & MOs

Info

ID:	182463
PubChem CID:	76890982
Reduced:	Br2N2O3H6C13 (1)
Stoich.:	A2B2C3D6E13 (1)
Weight, g/mol:	351.94143
ΔH_f, kcal/mol:	31.52
Dipole, Da:	5.86
IP(EA), eV:	-9.72(-2.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[bromo-(2-chloro-4-fluorophenyl)methylidene]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1=CC2=NC(=O)C(=O)N=C2C=C1C(C3=CC=C(O3)Br)Br

DOS

IR

Vibrations