Geometry & MOs

Info

ID:	31037
PubChem CID:	854219
Reduced:	NO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	286.134423
ΔH_f, kcal/mol:	-165.25
Dipole, Da:	4.85
IP(EA), eV:	-9.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1-benzylpyridin-1-ium-4-yl)-1H-benzimidazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC=CC=C3)C(=O)OC(=C2)C)N

DOS

IR

Vibrations