Geometry & MOs

Info

ID:	329609
PubChem CID:	126920291
Reduced:	N7H17C18 (1)
Stoich.:	A7B17C18 (1)
Weight, g/mol:	312.144707
ΔH_f, kcal/mol:	166.92
Dipole, Da:	5.77
IP(EA), eV:	-8.86(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1C2=NN3C=NN=C3C=C2)CNC4=CC=NC5=CC=CC=C54

DOS

IR

Vibrations