Geometry & MOs

Info

ID:	63109
PubChem CID:	26744270
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	300.171202
ΔH_f, kcal/mol:	-57.22
Dipole, Da:	2.38
IP(EA), eV:	-9.43(-0.59)
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-[(2-methylphenyl)methyl]pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)[C@@H]3C[C@H](CN3C4CCOCC4)O

DOS

IR

Vibrations