Geometry & MOs

Info

ID:	23545
PubChem CID:	604493
Reduced:	NO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	233.068808
ΔH_f, kcal/mol:	-145.95
Dipole, Da:	6.98
IP(EA), eV:	-10.34(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O

DOS

IR

Vibrations