Geometry & MOs

Info

ID:	200299
PubChem CID:	79376420
Reduced:	S2N3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	244.078268
ΔH_f, kcal/mol:	89.31
Dipole, Da:	4.68
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(6-methylpyridin-3-yl)methylamino]-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NCC2=CSC=C2

DOS

IR

Vibrations