Geometry & MOs

Info

ID:	134401
PubChem CID:	51691763
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	387.22704
ΔH_f, kcal/mol:	52.72
Dipole, Da:	21.02
IP(EA), eV:	-4.51(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-[5-[5-[(2S)-1-(oxan-4-yl)pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-1-ium-2-yl]morpholine

Drug info:

PubChemData

Smile

C1C[C@H]([NH+](C1)CC2=CC=CC=C2O)C3=NC(=NO3)C4=C[NH+]=C(C=C4)N5CCOCC5

DOS

IR

Vibrations