Geometry & MOs

Info

ID:	165157
PubChem CID:	74507356
Reduced:	N2O3H9C10 (2)
Stoich.:	A2B3C9D10 (2)
Weight, g/mol:	291.10933
ΔH_f, kcal/mol:	-57.0
Dipole, Da:	8.05
IP(EA), eV:	-9.98(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN(C1C2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C(=O)O)O

DOS

IR

Vibrations