Geometry & MOs

Info

ID:	7723
PubChem CID:	73812
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	2.8
IP(EA), eV:	-10.18(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations