Geometry & MOs

Info

ID:	250535
PubChem CID:	103097353
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	-11.49
Dipole, Da:	5.42
IP(EA), eV:	-9.57(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(4-phenacyl-1,3-thiazol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=N2)C(C)(C)C#N)C

DOS

IR

Vibrations