Geometry & MOs

Info

ID:	206923
PubChem CID:	80321606
Reduced:	OSN2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	222.082684
ΔH_f, kcal/mol:	17.63
Dipole, Da:	3.13
IP(EA), eV:	-9.67(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-oxobutanenitrile

Drug info:

PubChemData

Smile

C1CC(=O)C(C1)(CC2=NC=CS2)C#N

DOS

IR

Vibrations