Geometry & MOs

Info

ID:	200303
PubChem CID:	79376424
Reduced:	SN4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	224.109568
ΔH_f, kcal/mol:	50.05
Dipole, Da:	5.38
IP(EA), eV:	-9.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)propylamino]-3-methyl-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NC2CCN3C2CCC3

DOS

IR

Vibrations