Geometry & MOs

Info

ID:	63079
PubChem CID:	26744208
Reduced:	O2N4C15H28 (1)
Stoich.:	A2B4C15D28 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-27.88
Dipole, Da:	14.85
IP(EA), eV:	-6.71(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-1-(1-methylpiperidin-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+]2C3CC[NH+](CC3)C)O

DOS

IR

Vibrations