Geometry & MOs

Info

ID:	290391
PubChem CID:	104443357
Reduced:	ClN2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	277.110965
ΔH_f, kcal/mol:	52.11
Dipole, Da:	4.17
IP(EA), eV:	-9.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[2-(triazol-1-yl)ethylamino]pyridazine-4-carbothioamide

Drug info:

PubChemData

Smile

CCC(C1=CC(=C(C=C1)Cl)Cl)NCCCN2C=CN=N2

DOS

IR

Vibrations