Geometry & MOs

Info

ID:	250514
PubChem CID:	103097226
Reduced:	SN3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	86.44
Dipole, Da:	0.95
IP(EA), eV:	-9.64(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations