Geometry & MOs

Info

ID:	414360
PubChem CID:	135087316
Reduced:	ClO4N7C31H32 (1)
Stoich.:	AB4C7D31E32 (1)
Weight, g/mol:	343.144453
ΔH_f, kcal/mol:	13.44
Dipole, Da:	5.55
IP(EA), eV:	-8.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C1CNC(=O)[C@@H](NC(=O)C2=CC(=C(C=C2)OCCCN3C=C(CN(C1)C(=O)C4=CN=CC=C4)N=N3)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations