Geometry & MOs

Info

ID:	329642
PubChem CID:	126920486
Reduced:	ClN7C14H14 (1)
Stoich.:	AB7C14D14 (1)
Weight, g/mol:	360.04466
ΔH_f, kcal/mol:	149.38
Dipole, Da:	7.0
IP(EA), eV:	-9.43(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations