Geometry & MOs

Info

ID:	371959
PubChem CID:	131282633
Reduced:	BrON3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	278.94658
ΔH_f, kcal/mol:	76.03
Dipole, Da:	4.68
IP(EA), eV:	-9.28(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(1,3-thiazol-2-ylamino)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC2=CC(=CC(=C2)C#N)Br

DOS

IR

Vibrations