Geometry & MOs

Info

ID:	207559
PubChem CID:	80416232
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	302.039295
ΔH_f, kcal/mol:	-44.28
Dipole, Da:	6.49
IP(EA), eV:	-9.09(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CC(C(C)N(C)C1=CC=CC=C1C#N)C(=O)O

DOS

IR

Vibrations