Geometry & MOs

Info

ID:	10112
PubChem CID:	97531
Reduced:	N2O5H10C15 (1)
Stoich.:	A2B5C10D15 (1)
Weight, g/mol:	298.058971
ΔH_f, kcal/mol:	-21.07
Dipole, Da:	7.72
IP(EA), eV:	-10.21(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-nitrophenyl)methoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations