Geometry & MOs

Info

ID:	29064
PubChem CID:	831391
Reduced:	N3O5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	325.106256
ΔH_f, kcal/mol:	-60.39
Dipole, Da:	4.44
IP(EA), eV:	-8.2(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations