Geometry & MOs

Info

ID:	182465
PubChem CID:	76890984
Reduced:	BrON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	335.97098
ΔH_f, kcal/mol:	17.29
Dipole, Da:	6.75
IP(EA), eV:	-9.18(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[bromo-(2,6-difluorophenyl)methylidene]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CCC(C)C(=C1C=CC2=NC(=O)NC2=C1)Br

DOS

IR

Vibrations