Geometry & MOs

Info

ID:	419483
PubChem CID:	135108266
Reduced:	FON5C13H20 (1)
Stoich.:	ABC5D13E20 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	22.16
Dipole, Da:	3.46
IP(EA), eV:	-8.48(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CNC1=NC(=NC=C1F)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations