Geometry & MOs

Info

ID:	449192
PubChem CID:	135296707
Reduced:	NO2C15H17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	327.120547
ΔH_f, kcal/mol:	-84.87
Dipole, Da:	3.96
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluorophenyl)sulfanylpiperidin-4-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CCC(CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C#N)OC)OC

DOS

IR

Vibrations