Geometry & MOs

Info

ID:	346671
PubChem CID:	127271175
Reduced:	N3C10H15 (2)
Stoich.:	A3B10C15 (2)
Weight, g/mol:	389.165188
ΔH_f, kcal/mol:	50.51
Dipole, Da:	3.91
IP(EA), eV:	-8.73(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=CN=C2)NC3CCN(CC3)CC4CCCC4)C

DOS

IR

Vibrations