Geometry & MOs

Info

ID:	296538
PubChem CID:	117582060
Reduced:	OSN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	292.96223
ΔH_f, kcal/mol:	16.66
Dipole, Da:	5.55
IP(EA), eV:	-9.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-N-methylanilino)-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CN(C1CCOCC1)C2=NC=C(S2)C#N

DOS

IR

Vibrations