Geometry & MOs

Info

ID:	372843
PubChem CID:	131305834
Reduced:	SBr2O2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	236.071641
ΔH_f, kcal/mol:	-45.18
Dipole, Da:	1.48
IP(EA), eV:	-9.07(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-1-methylbenzimidazol-2-yl)butan-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=C2C(=CC(=C1)Br)C=C(S2)CBr

DOS

IR

Vibrations