Geometry & MOs

Info

ID:	262459
PubChem CID:	103293858
Reduced:	SN6H8C9 (1)
Stoich.:	AB6C8D9 (1)
Weight, g/mol:	191.117095
ΔH_f, kcal/mol:	125.59
Dipole, Da:	3.6
IP(EA), eV:	-8.65(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N)C2=NN=C3N2N=CC=C3

DOS

IR

Vibrations