Geometry & MOs

Info

ID:	294122
PubChem CID:	117427321
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-102.91
Dipole, Da:	3.44
IP(EA), eV:	-9.18(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(CC(=O)O)N)Cl)C2CC2

DOS

IR

Vibrations