Geometry & MOs

Info

ID:	295825
PubChem CID:	117544968
Reduced:	BrSN2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	220.10342
ΔH_f, kcal/mol:	48.33
Dipole, Da:	3.37
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-cyclohexyl-4-methyl-1,3-thiazol-2-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CNC)C2=CC=CC=C2Br

DOS

IR

Vibrations