Geometry & MOs

Info

ID:	446849
PubChem CID:	135278200
Reduced:	BrNO4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	569.10241
ΔH_f, kcal/mol:	-180.77
Dipole, Da:	5.41
IP(EA), eV:	-8.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[2-(4-bromophenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenyl]piperidine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)N2CCC(CC2)COC3CCCCO3)CBr

DOS

IR

Vibrations