Geometry & MOs

Info

ID:	63099
PubChem CID:	26744242
Reduced:	F3N3O3C17H18 (1)
Stoich.:	A3B3C3D17E18 (1)
Weight, g/mol:	319.108754
ΔH_f, kcal/mol:	-187.72
Dipole, Da:	3.27
IP(EA), eV:	-9.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-1-[(4-chlorophenyl)methyl]-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)[C@@H]3C[C@H](CN3CC4=CC=C(C=C4)OC(F)(F)F)O

DOS

IR

Vibrations