Geometry & MOs

Info

ID:	415492
PubChem CID:	135088488
Reduced:	ClN2O3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-143.45
Dipole, Da:	3.27
IP(EA), eV:	-9.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylpropyl)butanamide

Drug info:

PubChemData

Smile

CN(C1C[C@@H]2CC(C[C@@H]2C1)O)C(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations