Geometry & MOs

Info

ID:	63133
PubChem CID:	26744351
Reduced:	O2N3C8H8 (2)
Stoich.:	A2B3C8D8 (2)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	37.16
Dipole, Da:	7.78
IP(EA), eV:	-9.52(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=NC=CN4)O

DOS

IR

Vibrations