Geometry & MOs

Info

ID:	277992
PubChem CID:	103832507
Reduced:	ON5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	108.74
Dipole, Da:	2.91
IP(EA), eV:	-9.32(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxolan-2-ylmethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1[C@@H](NCC2=CC=CC=C21)C3=NC(=NO3)C4=NC=CC=N4

DOS

IR

Vibrations