Geometry & MOs

Info

ID:	54253
PubChem CID:	16957204
Reduced:	ClN3O3C30H34 (1)
Stoich.:	AB3C3D30E34 (1)
Weight, g/mol:	282.149891
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	2.42
IP(EA), eV:	-8.58(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexyl-2-(methoxymethyl)benzimidazole;hydrochloride

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2CC(CC2=O)C3=NC4=CC=CC=C4N3CCCCOC5=CC=C(C=C5)OC.Cl

DOS

IR

Vibrations