Geometry & MOs

Info

ID:	311833
PubChem CID:	126598117
Reduced:	S2N3F6O6H35C40 (1)
Stoich.:	A2B3C6D6E35F40 (1)
Weight, g/mol:	256.97015
ΔH_f, kcal/mol:	-280.3
Dipole, Da:	17.62
IP(EA), eV:	-7.54(-3.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-2-methylindole

Drug info:

PubChemData

Smile

C1CC2=CC(=CC3=C2N(C1)CCC3)C=CC4=CC5=[N+](CCC6=C5C7=C(CC[N+]8=C7C9=CC=CC=C9C=C8)C=C6)C=C4.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations