Geometry & MOs

Info

ID:	88655
PubChem CID:	49955931
Reduced:	ClN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	432.08299
ΔH_f, kcal/mol:	5.79
Dipole, Da:	6.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-2

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;dichloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(CC2=CNC3=CC=CC=C32)C(=O)O.[Cl-]

DOS

IR

Vibrations