Geometry & MOs

Info

ID:	413902
PubChem CID:	135086853
Reduced:	SO3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	147.092223
ΔH_f, kcal/mol:	-76.58
Dipole, Da:	4.1
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-methyl-3H-indol-1-ium-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C=O)C2=CC=CC=C2C

DOS

IR

Vibrations