Geometry & MOs

Info

ID:	28123
PubChem CID:	825728
Reduced:	SN4C8H8 (1)
Stoich.:	AB4C8D8 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	75.58
Dipole, Da:	3.4
IP(EA), eV:	-8.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methoxy-2,3-dimethylindol-1-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NSC(=N2)N

DOS

IR

Vibrations