Geometry & MOs

Info

ID:	340908
PubChem CID:	127263343
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	323.072281
ΔH_f, kcal/mol:	25.62
Dipole, Da:	3.76
IP(EA), eV:	-9.05(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-aminoethyl)-7-chloroindol-3-yl]propan-1-amine;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)C(=CN2)CCCN)C#N.Cl

DOS

IR

Vibrations