Geometry & MOs

Info

ID:	63107
PubChem CID:	26744260
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	280.166117
ΔH_f, kcal/mol:	-19.45
Dipole, Da:	2.6
IP(EA), eV:	-8.82(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2C[C@@H](C[C@H]2C3=NC(=NO3)C4CC4)O

DOS

IR

Vibrations