Geometry & MOs

Info

ID:	250518
PubChem CID:	103097262
Reduced:	SN2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	295.994175
ΔH_f, kcal/mol:	38.39
Dipole, Da:	3.62
IP(EA), eV:	-9.42(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C(C)(C)C#N

DOS

IR

Vibrations