Geometry & MOs

Info

ID:	248762
PubChem CID:	103084166
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	280.98738
ΔH_f, kcal/mol:	-33.19
Dipole, Da:	9.21
IP(EA), eV:	-9.63(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-4-ethyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=O)C=C(N2)CNCCOC

DOS

IR

Vibrations