Geometry & MOs

Info

ID:	144326
PubChem CID:	53350889
Reduced:	ClN4C24H26 (1)
Stoich.:	AB4C24D26 (1)
Weight, g/mol:	249.082837
ΔH_f, kcal/mol:	145.21
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750112
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol;chloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)N=CC2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

DOS

IR

Vibrations