Geometry & MOs

Info

ID:	1051
PubChem CID:	3718
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-79.81
Dipole, Da:	7.25
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O

DOS

IR

Vibrations