Geometry & MOs

Info

ID:	361423
PubChem CID:	127303337
Reduced:	ON6C21H24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	54.16
Dipole, Da:	7.23
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

DOS

IR

Vibrations