Geometry & MOs

Info

ID:	370851
PubChem CID:	127341117
Reduced:	ON6C20H30 (1)
Stoich.:	AB6C20D30 (1)
Weight, g/mol:	393.196489
ΔH_f, kcal/mol:	13.94
Dipole, Da:	4.52
IP(EA), eV:	-8.53(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C(C)N2CCCC(C2)C3=NN=C4N3C=CC=C4

DOS

IR

Vibrations