Geometry & MOs

Info

ID:	329655
PubChem CID:	126920529
Reduced:	SO2N7H15C16 (1)
Stoich.:	AB2C7D15E16 (1)
Weight, g/mol:	336.155941
ΔH_f, kcal/mol:	106.09
Dipole, Da:	4.63
IP(EA), eV:	-9.75(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)C4=NS(=O)(=O)C5=CC=CC=C54

DOS

IR

Vibrations