Geometry & MOs

Info

ID:	329614
PubChem CID:	126920350
Reduced:	N9C15H19 (1)
Stoich.:	A9B15C19 (1)
Weight, g/mol:	300.124721
ΔH_f, kcal/mol:	156.16
Dipole, Da:	7.86
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=N1)NCC2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations