Geometry & MOs

Info

ID:	250549
PubChem CID:	103097457
Reduced:	SN3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	209.098669
ΔH_f, kcal/mol:	36.27
Dipole, Da:	4.74
IP(EA), eV:	-9.27(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CN)C1=CSC(=N1)C(C)(C)C#N

DOS

IR

Vibrations