Geometry & MOs

Info

ID:	370846
PubChem CID:	127341097
Reduced:	OSN6C19H22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	55.42
Dipole, Da:	3.5
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(=O)NC2=NC3=C(S2)CCC3)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations