Geometry & MOs

Info

ID:	134400
PubChem CID:	51690957
Reduced:	NO2C9H19 (1)
Stoich.:	AB2C9D19 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-115.1
Dipole, Da:	11.12
IP(EA), eV:	-9.49(0.58)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[[(2S)-2-[3-(6-morpholin-4-ylpyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-ium-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

CCCC[NH2+][C@H](C(C)C)C(=O)[O-]

DOS

IR

Vibrations