Geometry & MOs

Info

ID:	142420
PubChem CID:	53031757
Reduced:	ClO3N5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	419.175753
ΔH_f, kcal/mol:	-0.5
Dipole, Da:	4.58
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC3=C(C=C2)N(C=N3)CCC(=O)N4CCCC4)OC5=CC(=CC=C5)Cl

DOS

IR

Vibrations