Geometry & MOs

Info

ID:	329667
PubChem CID:	126920564
Reduced:	SO2N7C15H23 (1)
Stoich.:	AB2C7D15E23 (1)
Weight, g/mol:	332.149793
ΔH_f, kcal/mol:	32.95
Dipole, Da:	9.8
IP(EA), eV:	-9.33(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)S(=O)(=O)N4CCCCCC4

DOS

IR

Vibrations