Geometry & MOs

Info

ID:	182466
PubChem CID:	76890985
Reduced:	BrOF2N2H7C14 (1)
Stoich.:	ABC2D2E7F14 (1)
Weight, g/mol:	397.88887
ΔH_f, kcal/mol:	-29.38
Dipole, Da:	6.77
IP(EA), eV:	-9.32(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=C2C=CC3=NC(=O)NC3=C2)Br)F

DOS

IR

Vibrations