Geometry & MOs

Info

ID:	29605
PubChem CID:	835745
Reduced:	NO3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	298.058971
ΔH_f, kcal/mol:	4.52
Dipole, Da:	3.69
IP(EA), eV:	-8.97(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-4-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations