Geometry & MOs

Info

ID:	248693
PubChem CID:	103083677
Reduced:	BrSN2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	295.99828
ΔH_f, kcal/mol:	25.9
Dipole, Da:	4.57
IP(EA), eV:	-8.97(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanamine

Drug info:

PubChemData

Smile

CCCNC1CCCC2=C1SC(=N2)C3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations