Geometry & MOs

Info

ID:	136091
PubChem CID:	51977377
Reduced:	ClON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	282.137315
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	5.54
IP(EA), eV:	-9.0(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[6-chloro-2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]propyl-dimethylazanium

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(N1CCCN(C)C)C=C(C=C2)Cl)O

DOS

IR

Vibrations