Geometry & MOs

Info

ID:	346672
PubChem CID:	127271176
Reduced:	FON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	389.165188
ΔH_f, kcal/mol:	51.78
Dipole, Da:	4.77
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C3CCCC3=N2)C#N)C4=NC(=NO4)C5=CC=C(C=C5)F

DOS

IR

Vibrations