Geometry & MOs

Info

ID:	349364
PubChem CID:	127275151
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-18.25
Dipole, Da:	5.05
IP(EA), eV:	-9.31(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2=CC=CC=C2)CN3CCCCC3C(=O)N4CCOCC4

DOS

IR

Vibrations