Geometry & MOs

Info

ID:	182440
PubChem CID:	76889890
Reduced:	BrN3O4H8C12 (1)
Stoich.:	AB3C4D8E12 (1)
Weight, g/mol:	307.991946
ΔH_f, kcal/mol:	6.43
Dipole, Da:	6.81
IP(EA), eV:	-10.01(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[chloro-(5-chloro-2-fluorophenyl)methylidene]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C=CC(=O)O)N2C=C(C=N2)Br

DOS

IR

Vibrations