Geometry & MOs

Info

ID:	329625
PubChem CID:	126920385
Reduced:	N9H15C16 (1)
Stoich.:	A9B15C16 (1)
Weight, g/mol:	363.155606
ΔH_f, kcal/mol:	188.32
Dipole, Da:	7.97
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C(CN1C2=NN3C=NN=C3C=C2)CNC4=NC=NC5=C4C=CN=C5

DOS

IR

Vibrations