Geometry & MOs

Info

ID:	329618
PubChem CID:	126920363
Reduced:	ON6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	304.147016
ΔH_f, kcal/mol:	50.42
Dipole, Da:	10.08
IP(EA), eV:	-9.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)(CNCC2CN(C2)C3=NN4C=NN=C4C=C3)O

DOS

IR

Vibrations