Geometry & MOs

Info

ID:	329608
PubChem CID:	126739081
Reduced:	OF3N5C28H32 (1)
Stoich.:	AB3C5D28E32 (1)
Weight, g/mol:	331.154544
ΔH_f, kcal/mol:	-133.59
Dipole, Da:	8.36
IP(EA), eV:	-8.97(-1.51)
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]quinolin-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C[C@H](C1)N)C2=C(C=NC=C2)NC(=O)C3=C4C(=C(C=C3)F)C=C(C=N4)N5CCCCC5C(F)F

DOS

IR

Vibrations