Geometry & MOs

Info

ID:	329622
PubChem CID:	126920374
Reduced:	ON8C18H18 (1)
Stoich.:	AB8C18D18 (1)
Weight, g/mol:	335.160692
ΔH_f, kcal/mol:	115.81
Dipole, Da:	6.64
IP(EA), eV:	-9.14(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N=C1NCC3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations