Geometry & MOs

Info

ID:	383135
PubChem CID:	134974696
Reduced:	NH12C15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	323.154824
ΔH_f, kcal/mol:	76.62
Dipole, Da:	1.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.160541
Charge, e:	1

Chem-info

IUPAC name:

3-[3H-indol-1-ium-3-yl(phenyl)methyl]-1H-indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/2\C=[NH+]C3=CC=CC=C32

DOS

IR

Vibrations