Geometry & MOs

Info

ID:	259450
PubChem CID:	103165869
Reduced:	BrO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	356.0291
ΔH_f, kcal/mol:	-93.23
Dipole, Da:	3.69
IP(EA), eV:	-8.59(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(1-chloro-2-cyclobutylethyl)-1,3-dimethylbenzimidazol-2-one

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2=CC3=C(C=C2)OC(C3)(C)C)Br

DOS

IR

Vibrations