Geometry & MOs

Info

ID:	310647
PubChem CID:	126584092
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	249.08235
ΔH_f, kcal/mol:	-24.81
Dipole, Da:	3.29
IP(EA), eV:	-7.87(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyl-4-methylsulfanylindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)CC1=CC2=C(N1C)C(=CC=C2)OC

DOS

IR

Vibrations