Geometry & MOs

Info

ID:	250544
PubChem CID:	103097404
Reduced:	SN3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	319.99828
ΔH_f, kcal/mol:	45.83
Dipole, Da:	1.89
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C2CCCN2

DOS

IR

Vibrations