Geometry & MOs

Info

ID:	201256
PubChem CID:	79514999
Reduced:	BrN3C15H22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	18.77
Dipole, Da:	2.06
IP(EA), eV:	-8.76(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-methoxy-1,3-benzothiazol-2-yl)ethyl]-4-methylaniline

Drug info:

PubChemData

Smile

CCCC1(CN=C(N1C2=CC=C(C=C2)Br)N)CCC

DOS

IR

Vibrations