Geometry & MOs

Info

ID:	373142
PubChem CID:	131310661
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	240.93093
ΔH_f, kcal/mol:	-61.14
Dipole, Da:	1.71
IP(EA), eV:	-9.14(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Br)OCC(C2=O)CNC

DOS

IR

Vibrations