Geometry & MOs

Info

ID:	285188
PubChem CID:	104098528
Reduced:	BrSC6N6H7 (1)
Stoich.:	ABC6D6E7 (1)
Weight, g/mol:	233.102508
ΔH_f, kcal/mol:	119.38
Dipole, Da:	3.2
IP(EA), eV:	-9.55(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(triazol-1-yl)ethylamino]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCNC2=NN=C(S2)Br

DOS

IR

Vibrations