Geometry & MOs

Info

ID:	88604
PubChem CID:	49955668
Reduced:	ClNSO3H15C17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	345.136981
ΔH_f, kcal/mol:	-8.48
Dipole, Da:	6.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.915314
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenoxy]ethanol;chloride

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)CNCC3=CC=CS3.[Cl-]

DOS

IR

Vibrations