Geometry & MOs

Info

ID:	200293
PubChem CID:	79376414
Reduced:	SN6C9H10 (1)
Stoich.:	AB6C9D10 (1)
Weight, g/mol:	248.084416
ΔH_f, kcal/mol:	112.48
Dipole, Da:	5.84
IP(EA), eV:	-9.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NCC2=NN=CN2C

DOS

IR

Vibrations