Geometry & MOs

Info

ID:	63098
PubChem CID:	26744241
Reduced:	F3N3O3C17H19 (1)
Stoich.:	A3B3C3D17E19 (1)
Weight, g/mol:	369.130026
ΔH_f, kcal/mol:	-171.52
Dipole, Da:	1.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.837583
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)[C@@H]3C[C@H](C[NH+]3CC4=CC=C(C=C4)OC(F)(F)F)O

DOS

IR

Vibrations