Geometry & MOs

Info

ID:	250546
PubChem CID:	103097416
Reduced:	SN3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	237.129969
ΔH_f, kcal/mol:	36.66
Dipole, Da:	2.17
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C(C)(C)NC

DOS

IR

Vibrations