Geometry & MOs

Info

ID:	329676
PubChem CID:	126920591
Reduced:	ON8C15H18 (1)
Stoich.:	AB8C15D18 (1)
Weight, g/mol:	286.129057
ΔH_f, kcal/mol:	116.76
Dipole, Da:	7.69
IP(EA), eV:	-9.4(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine

Drug info:

PubChemData

Smile

CN(CCN1C=CN=CC1=O)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations