Geometry & MOs

Info

ID:	22185
PubChem CID:	596210
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	238.050905
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	2.09
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C(=CN2)CC(C(=O)O)N

DOS

IR

Vibrations