Geometry & MOs

Info

ID:	291955
PubChem CID:	113932819
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	267.165686
ΔH_f, kcal/mol:	-117.08
Dipole, Da:	6.37
IP(EA), eV:	-9.49(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]pentan-1-ol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)CC2=CC=CC=C2CN)O)O

DOS

IR

Vibrations