Geometry & MOs

Info

ID:	294123
PubChem CID:	117427324
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-132.89
Dipole, Da:	6.06
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC(=C2)C(CC(=O)O)N)Cl)C

DOS

IR

Vibrations