Geometry & MOs

Info

ID:	23594
PubChem CID:	604763
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-70.14
Dipole, Da:	4.99
IP(EA), eV:	-10.22(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)C(=O)NC2=O

DOS

IR

Vibrations