Geometry & MOs

Info

ID:	329643
PubChem CID:	126920489
Reduced:	BrN8C13H13 (1)
Stoich.:	AB8C13D13 (1)
Weight, g/mol:	350.171591
ΔH_f, kcal/mol:	170.14
Dipole, Da:	7.23
IP(EA), eV:	-9.35(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5,6-trimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)C4=NC=C(C=N4)Br

DOS

IR

Vibrations