Geometry & MOs

Info

ID:	63104
PubChem CID:	26744253
Reduced:	N3O3C14H18 (1)
Stoich.:	A3B3C14D18 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	2.11
Dipole, Da:	4.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.819684
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)[C@@H]3C[C@H](C[NH+]3CC4=CC=CO4)O

DOS

IR

Vibrations