Geometry & MOs

Info

ID:	370852
PubChem CID:	127341118
Reduced:	FON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	386.185509
ΔH_f, kcal/mol:	5.29
Dipole, Da:	3.65
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrrolidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2CCCN(C2=O)C3=CC(=CC=C3)F)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations