Geometry & MOs

Info

ID:	370848
PubChem CID:	127341114
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	41.37
Dipole, Da:	8.45
IP(EA), eV:	-8.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2=CC=CC=C2N1C(=O)CN3CCCC(C3)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations