Geometry & MOs

Info

ID:	63151
PubChem CID:	26744419
Reduced:	FO2N5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	303.138305
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	4.24
IP(EA), eV:	-9.37(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C2=NC(=NO2)C3=CC=C(C=C3)F)CC4=NC=CN4)O

DOS

IR

Vibrations