Geometry & MOs

Info

ID:	154407
PubChem CID:	56313836
Reduced:	FO2N3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	2.41
IP(EA), eV:	-8.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=CC=C2CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations