Geometry & MOs

Info

ID:	19090
PubChem CID:	554512
Reduced:	N2O5H10C15 (1)
Stoich.:	A2B5C10D15 (1)
Weight, g/mol:	298.058971
ΔH_f, kcal/mol:	-52.11
Dipole, Da:	4.27
IP(EA), eV:	-9.23(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-5-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations