Geometry & MOs

Info

ID:	250533
PubChem CID:	103097334
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	180.035734
ΔH_f, kcal/mol:	-47.72
Dipole, Da:	2.23
IP(EA), eV:	-10.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-formyl-1,3-thiazol-2-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=N1)C(C)(C)C#N)C

DOS

IR

Vibrations