Geometry & MOs

Info

ID:	310679
PubChem CID:	126584278
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	263.098
ΔH_f, kcal/mol:	-40.39
Dipole, Da:	3.91
IP(EA), eV:	-8.67(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2-dimethyl-7-methylsulfanylindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=CC=C2)C3=CC=CC=C3)CC(C(=O)O)N

DOS

IR

Vibrations