Geometry & MOs

Info

ID:	242419
PubChem CID:	96099955
Reduced:	OF2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-90.29
Dipole, Da:	5.37
IP(EA), eV:	-9.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-phenyl-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pent-4-en-1-one

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1C[C@@H](CN)O)C(=C(C=C2)F)F

DOS

IR

Vibrations