Geometry & MOs

Info

ID:	29062
PubChem CID:	831381
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	311.090606
ΔH_f, kcal/mol:	-89.08
Dipole, Da:	4.16
IP(EA), eV:	-8.77(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylanilino)methyl]-4-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O

DOS

IR

Vibrations