Geometry & MOs

Info

ID:	88675
PubChem CID:	49956048
Reduced:	ClN2O5H20C26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	323.095603
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	2.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.254215
Charge, e:	-2

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine;dichloride

Drug info:

PubChemData

Smile

C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=CO4)C(=O)C5=CC=CO5)C6=CC=CO6.[Cl-]

DOS

IR

Vibrations