Geometry & MOs

Info

ID:	68806
PubChem CID:	46509129
Reduced:	O3N4C29H30 (1)
Stoich.:	A3B4C29D30 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	1.48
IP(EA), eV:	-9.04(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations