Geometry & MOs

Info

ID:	329675
PubChem CID:	126920589
Reduced:	ON8C16H20 (1)
Stoich.:	AB8C16D20 (1)
Weight, g/mol:	326.160357
ΔH_f, kcal/mol:	116.01
Dipole, Da:	9.69
IP(EA), eV:	-9.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]pyrazin-2-one

Drug info:

PubChemData

Smile

CN(CC1=CN2CCOCC2=N1)C3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations