Geometry & MOs

Info

ID:	208516
PubChem CID:	80539754
Reduced:	SN2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	283.99828
ΔH_f, kcal/mol:	22.4
Dipole, Da:	2.44
IP(EA), eV:	-8.9(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-1,3-benzothiazol-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=N2)C(C)CCN

DOS

IR

Vibrations