Geometry & MOs

Info

ID:	182450
PubChem CID:	76890969
Reduced:	BrOCl2N2H7C14 (1)
Stoich.:	ABC2D2E7F14 (1)
Weight, g/mol:	280.02113
ΔH_f, kcal/mol:	44.98
Dipole, Da:	4.24
IP(EA), eV:	-9.49(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-bromo-2,2-dimethylpropylidene)-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1=CC2=NC(=O)NC2=CC1=C(C3=CC(=CC(=C3)Cl)Cl)Br

DOS

IR

Vibrations