Geometry & MOs

Info

ID:	63147
PubChem CID:	26744411
Reduced:	FO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	396.159769
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	2.37
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2S,4R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1C[C@@H](C[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)F)O

DOS

IR

Vibrations