Geometry & MOs

Info

ID:	341295
PubChem CID:	127263988
Reduced:	NCl2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	315.988159
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	4.36
IP(EA), eV:	-8.75(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,6-dichloro-1H-indol-3-yl)propan-1-amine;dihydrochloride

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=C(C=C2Cl)Cl)CCCN.Cl.Cl

DOS

IR

Vibrations