Geometry & MOs

Info

ID:	63076
PubChem CID:	26744204
Reduced:	N3O4C15H21 (1)
Stoich.:	A3B4C15D21 (1)
Weight, g/mol:	316.202502
ΔH_f, kcal/mol:	-94.74
Dipole, Da:	2.83
IP(EA), eV:	-9.45(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)[C@@H]2C[C@H](CN2CC3=CC=C(O3)CO)O

DOS

IR

Vibrations