Geometry & MOs

Info

ID:	63084
PubChem CID:	26744216
Reduced:	N3O3C14H24 (1)
Stoich.:	A3B3C14D24 (1)
Weight, g/mol:	281.173942
ΔH_f, kcal/mol:	-78.29
Dipole, Da:	3.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.921324
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)[C@@H]2C[C@H](C[NH+]2C3CCOCC3)O

DOS

IR

Vibrations