Geometry & MOs

Info

ID:	209414
PubChem CID:	80669635
Reduced:	BrSN3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	276.02958
ΔH_f, kcal/mol:	32.65
Dipole, Da:	5.72
IP(EA), eV:	-8.22(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-butyl-4-methyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCCCN(CCBr)C1=NC(=NS1)C2CC2

DOS

IR

Vibrations