Geometry & MOs

Info

ID:	422213
PubChem CID:	135117415
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	-130.23
Dipole, Da:	5.62
IP(EA), eV:	-8.95(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4CCCC4)OCC2

DOS

IR

Vibrations