Geometry & MOs

Info

ID:	208574
PubChem CID:	80546834
Reduced:	ClN3C17H26 (1)
Stoich.:	AB3C17D26 (1)
Weight, g/mol:	282.122909
ΔH_f, kcal/mol:	1.27
Dipole, Da:	2.59
IP(EA), eV:	-8.68(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)N2CCC(C2)N3CCC(CC3)N

DOS

IR

Vibrations