Geometry & MOs

Info

ID:	329688
PubChem CID:	126921555
Reduced:	OF3N7H18C19 (1)
Stoich.:	AB3C7D18E19 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	9.15
IP(EA), eV:	-9.13(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2N=C(C=C3)N4CC(C4)CNC(=O)C5=CN=C(C=C5)C(F)(F)F

DOS

IR

Vibrations