Geometry & MOs

Info

ID:	296515
PubChem CID:	117581351
Reduced:	BrSN5C12H12 (1)
Stoich.:	ABC5D12E12 (1)
Weight, g/mol:	332.03851
ΔH_f, kcal/mol:	102.49
Dipole, Da:	3.83
IP(EA), eV:	-8.64(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethyl)-3-bromo-N-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

C1=CSC(=C1)NC2=NN3C(=NC(=C3Br)CCN)C=C2

DOS

IR

Vibrations