Geometry & MOs

Info

ID:	138116
PubChem CID:	52315813
Reduced:	ON3C12H22 (1)
Stoich.:	AB3C12D22 (1)
Weight, g/mol:	349.130065
ΔH_f, kcal/mol:	4.1
Dipole, Da:	3.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752006
Charge, e:	-1

Chem-info

IUPAC name:

4-[[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=NN=C(O1)[C@H]2CC[NH+](C2)CCC(C)C

DOS

IR

Vibrations