Geometry & MOs

Info

ID:	63071
PubChem CID:	26744192
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-37.04
Dipole, Da:	2.74
IP(EA), eV:	-8.92(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)[C@@H]3C[C@H](CN3)O

DOS

IR

Vibrations