Geometry & MOs

Info

ID:	329641
PubChem CID:	126920480
Reduced:	N9H13C14 (1)
Stoich.:	A9B13C14 (1)
Weight, g/mol:	315.099921
ΔH_f, kcal/mol:	208.33
Dipole, Da:	8.7
IP(EA), eV:	-9.51(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridin-4-amine

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)C4=NC=CN=C4C#N

DOS

IR

Vibrations