Geometry & MOs

Info

ID:	329684
PubChem CID:	126920699
Reduced:	N3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	296.149793
ΔH_f, kcal/mol:	119.9
Dipole, Da:	9.42
IP(EA), eV:	-9.29(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(CC1CCC1)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations