Geometry & MOs

Info

ID:	293898
PubChem CID:	117410701
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	-142.76
Dipole, Da:	5.04
IP(EA), eV:	-9.58(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-piperazin-1-ylethyl)-1-benzothiophen-4-ol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)C2=CC=C(C=C2)C(C(=O)O)O)C

DOS

IR

Vibrations