Geometry & MOs

Info

ID:	329661
PubChem CID:	126920552
Reduced:	F3N8H13C14 (1)
Stoich.:	A3B8C13D14 (1)
Weight, g/mol:	331.154544
ΔH_f, kcal/mol:	9.54
Dipole, Da:	7.29
IP(EA), eV:	-9.75(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)C4=NC=NC(=C4)C(F)(F)F

DOS

IR

Vibrations