Geometry & MOs

Info

ID:	63103
PubChem CID:	26744252
Reduced:	FO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	276.134816
ΔH_f, kcal/mol:	-31.05
Dipole, Da:	2.76
IP(EA), eV:	-9.57(-0.57)
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-(furan-2-ylmethyl)pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)[C@@H]3C[C@H](CN3CC4=CC=C(C=C4)F)O

DOS

IR

Vibrations