Geometry & MOs

Info

ID:	63108
PubChem CID:	26744269
Reduced:	N3O3C14H22 (1)
Stoich.:	A3B3C14D22 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-42.84
Dipole, Da:	1.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924585
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)[C@@H]3C[C@H](C[NH+]3C4CCOCC4)O

DOS

IR

Vibrations