Geometry & MOs

Info

ID:	329886
PubChem CID:	127246753
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	71.25
Dipole, Da:	3.24
IP(EA), eV:	-8.66(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)C3=CN=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations