Geometry & MOs

Info

ID:	329616
PubChem CID:	126920354
Reduced:	N4C8H9 (2)
Stoich.:	A4B8C9 (2)
Weight, g/mol:	321.145042
ΔH_f, kcal/mol:	145.97
Dipole, Da:	9.27
IP(EA), eV:	-9.33(-1.01)
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]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

Drug info:

PubChemData

Smile

C1CC2=C(C1)N=CN=C2NCC3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations