Geometry & MOs

Info

ID:	400078
PubChem CID:	135045107
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	225.00274
ΔH_f, kcal/mol:	-177.04
Dipole, Da:	6.37
IP(EA), eV:	-9.64(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-bromo-1,3-dimethylbenzimidazol-3-ium

Drug info:

PubChemData

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C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)C2=CC=CC=C2C)CO

DOS

IR

Vibrations