Geometry & MOs

Info

ID:	242267
PubChem CID:	96099799
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-36.48
Dipole, Da:	5.87
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1[C@@H]3CCNC3)C=CC(=C2)C(=O)OC

DOS

IR

Vibrations