Geometry & MOs

Info

ID:	383044
PubChem CID:	134974542
Reduced:	NOH28C34 (1)
Stoich.:	ABC28D34 (1)
Weight, g/mol:	465.209264
ΔH_f, kcal/mol:	101.02
Dipole, Da:	1.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.458285
Charge, e:	0

Chem-info

IUPAC name:

3-[phenyl(trityloxy)methyl]-1H-indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)[OH+]C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations