Geometry & MOs

Info

ID:	68800
PubChem CID:	46509117
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	10.58
Dipole, Da:	3.97
IP(EA), eV:	-9.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=CC=CC=C3O2)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations