Geometry & MOs

Info

ID:	250539
PubChem CID:	103097358
Reduced:	SN3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	251.145619
ΔH_f, kcal/mol:	33.22
Dipole, Da:	3.72
IP(EA), eV:	-9.32(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)(C)C#N)C(C)N

DOS

IR

Vibrations