Geometry & MOs

Info

ID:	142421
PubChem CID:	53031758
Reduced:	FO2N5H22C23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	421.155018
ΔH_f, kcal/mol:	-2.2
Dipole, Da:	4.64
IP(EA), eV:	-9.09(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CCN2C=NC3=C2C=CC(=C3)C4=NOC(=N4)CC5=CC(=CC=C5)F

DOS

IR

Vibrations