Geometry & MOs

Info

ID:	207491
PubChem CID:	80403282
Reduced:	BrN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	316.054945
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	6.15
IP(EA), eV:	-9.81(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

C1CC2CN(CC2C1)C(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations