Geometry & MOs

Info

ID:	250538
PubChem CID:	103097357
Reduced:	OSN2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	209.098669
ΔH_f, kcal/mol:	7.21
Dipole, Da:	3.91
IP(EA), eV:	-9.92(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(1-aminoethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC2=C(S1)CCCC2=O

DOS

IR

Vibrations