Geometry & MOs

Info

ID:	63100
PubChem CID:	26744244
Reduced:	ClO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	329.197751
ΔH_f, kcal/mol:	6.63
Dipole, Da:	2.93
IP(EA), eV:	-9.5(-0.52)
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-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations