Geometry & MOs

Info

ID:	200288
PubChem CID:	79376409
Reduced:	ISN3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	244.078268
ΔH_f, kcal/mol:	105.19
Dipole, Da:	4.57
IP(EA), eV:	-9.15(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(1-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NC2=CC=CC=C2I

DOS

IR

Vibrations