Geometry & MOs

Info

ID:	329640
PubChem CID:	126920479
Reduced:	N8C13H14 (1)
Stoich.:	A8B13C14 (1)
Weight, g/mol:	307.129391
ΔH_f, kcal/mol:	171.94
Dipole, Da:	6.28
IP(EA), eV:	-9.18(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)C4=NC=CN=C4

DOS

IR

Vibrations