Geometry & MOs

Info

ID:	63102
PubChem CID:	26744250
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	303.138305
ΔH_f, kcal/mol:	20.64
Dipole, Da:	1.06
IP(EA), eV:	-8.07(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN2C[C@@H](C[C@H]2C3=NC(=NO3)C4CC4)O

DOS

IR

Vibrations