Geometry & MOs

Info

ID:	340909
PubChem CID:	127263344
Reduced:	Cl3N3C13H20 (1)
Stoich.:	A3B3C13D20 (1)
Weight, g/mol:	251.118925
ΔH_f, kcal/mol:	-50.24
Dipole, Da:	2.47
IP(EA), eV:	-8.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)N(C=C2CCCN)CCN.Cl.Cl

DOS

IR

Vibrations