Geometry & MOs

Info

ID:	329690
PubChem CID:	126921999
Reduced:	O3N7C21H25 (1)
Stoich.:	A3B7C21D25 (1)
Weight, g/mol:	335.185844
ΔH_f, kcal/mol:	3.93
Dipole, Da:	5.25
IP(EA), eV:	-9.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=CC1=O)OC)C(=O)NCC2CN(C2)C3=NN4C(=NN=C4C5CCC5)C=C3

DOS

IR

Vibrations