Geometry & MOs

Info

ID:	1066
PubChem CID:	3744
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	189.078979
ΔH_f, kcal/mol:	-57.87
Dipole, Da:	5.08
IP(EA), eV:	-8.86(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCC(=O)O

DOS

IR

Vibrations