Geometry & MOs

Info

ID:	449151
PubChem CID:	135296397
Reduced:	NO3C47H53 (1)
Stoich.:	AB3C47D53 (1)
Weight, g/mol:	512.07693
ΔH_f, kcal/mol:	-18.08
Dipole, Da:	3.27
IP(EA), eV:	-8.08(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3-[4-[2-[2-(methylamino)ethylamino]ethoxy]phenoxy]-1-benzothiophen-6-ol

Drug info:

PubChemData

Smile

CC/C(=C\C(=C)C)/OC1=CC=CC(=C1)C2CCN(CC2)CCCOC3=CC=C(C=C3)C4=C(CCC5=C4C=CC(=C5)OCC6=CC=CC=C6)CC=C

DOS

IR

Vibrations