Geometry & MOs

Info

ID:	200291
PubChem CID:	79376412
Reduced:	SN3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	249.129969
ΔH_f, kcal/mol:	34.79
Dipole, Da:	4.82
IP(EA), eV:	-9.03(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NCCC2CCCC2

DOS

IR

Vibrations