Geometry & MOs

Info

ID:	63124
PubChem CID:	26744313
Reduced:	FN4O4H17C19 (1)
Stoich.:	AB4C4D17E19 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-19.34
Dipole, Da:	6.44
IP(EA), eV:	-9.65(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=C(C=C4)F)O

DOS

IR

Vibrations