Geometry & MOs

Info

ID:	383042
PubChem CID:	134974540
Reduced:	NOH28C34 (1)
Stoich.:	ABC28D34 (1)
Weight, g/mol:	465.209264
ΔH_f, kcal/mol:	111.82
Dipole, Da:	1.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.921969
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2C=[NH+]C3=CC=CC=C23)OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations