Geometry & MOs

Info

ID:	250536
PubChem CID:	103097354
Reduced:	OSN2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	194.051384
ΔH_f, kcal/mol:	38.16
Dipole, Da:	4.24
IP(EA), eV:	-9.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations